(1R)-6,7-dimethoxy-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-pyrrolidin-1-yl-butan-2-yl]-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: (1R)-6,7-dimethoxy-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-pyrrolidin-1-yl-butan-2-yl]-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: (1R)-6,7-dimethoxy-N-[(1S)-3-methylsulfanyl-1-(pyrrolidine-1-carbonyl)propyl]-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: (1R)-6,7-dimethoxy-N-[(2S)-4-(methylthio)-1-oxo-1-(1-pyrrolidinyl)butan-2-yl]-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: (1R)-6,7-dimethoxy-N-[(2S)-4-methylsulfanyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: (1R)-6,7-dimethoxy-N-[(1S)-3-(methylthio)-1-(pyrrolidine-1-carbonyl)propyl]-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C27H35N3O4S MolecularWeight: 497.6495

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)NC(CCSC)C(=O)N3CCCC3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2[C@H](N(CCC2=C1)C(=O)N[C@@H](CCSC)C(=O)N3CCCC3)C4=CC=CC=C4)OC

InChI

InChI=1S/C27H35N3O4S/c1-33-23-17-20-11-15-30(25(19-9-5-4-6-10-19)21(20)18-24(23)34-2)27(32)28-22(12-16-35-3)26(31)29-13-7-8-14-29/h4-6,9-10,17-18,22,25H,7-8,11-16H2,1-3H3,(H,28,32)/t22-,25+/m0/s1