CHEBI:125488 - butanethioic acid S-[4-[(6S,10bR)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-6-yl]phenyl] ester

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ChEBI Name butanethioic acid S-[4-[(6S,10bR)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-6-yl]phenyl] ester ChEBI ID CHEBI:125488 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 C22H25NOS Net Charge 0 Average Mass 351.507 Monoisotopic Mass 351.16569 InChI InChI=1S/C22H25NOS/c1-2-6-22(24)25-17-12-10-16(11-13-17)20-15-23-14-5-9-21(23)19-8-4-3-7-18(19)20/h3-4,7-8,10-13,20-21H,2,5-6,9,14-15H2,1H3/t20-,21+/m0/s1 InChIKey NFDUFLJCZCXASW-LEWJYISDSA-N SMILES CCCC(=O)SC1=CC=C(C=C1)[C@@H]2CN3CCC[C@@H]3C4=CC=CC=C24 ChEBI Ontology Outgoing butanethioic acid S-[4-[(6S,10bR)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-6-yl]phenyl] ester (CHEBI:125488) is a isoquinolines (CHEBI:24922) Manual Xref Database LSM-36987 LINCS View more database links