CHEBI:112263 - 2-methoxy-4-(methylthio)benzoic acid [2-(cyclopropylamino)-2-oxoethyl] ester

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ChEBI Name 2-methoxy-4-(methylthio)benzoic acid [2-(cyclopropylamino)-2-oxoethyl] ester ChEBI ID CHEBI:112263 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C14H17NO4S Net Charge 0 Average Mass 295.356 Monoisotopic Mass 295.08783 InChI InChI=1S/C14H17NO4S/c1-18-12-7-10(20-2)5-6-11(12)14(17)19-8-13(16)15-9-3-4-9/h5-7,9H,3-4,8H2,1-2H3,(H,15,16) InChIKey RBOVDKHZWMXSQO-UHFFFAOYSA-N SMILES COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)NC2CC2 Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 2-methoxy-4-(methylthio)benzoic acid [2-(cyclopropylamino)-2-oxoethyl] ester (CHEBI:112263) is a methoxybenzoic acid (CHEBI:25238) Manual Xref Database LSM-23675 LINCS View more database links