2-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]phenyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]thio]-1-pyrrolidino-ethanone Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC=CC=C3SCC(=O)N4CCCC4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC=CC=C3SCC(=O)N4CCCC4)OC

InChI

InChI=1S/C24H28N2O4S/c1-29-20-13-17-9-12-26(15-18(17)14-21(20)30-2)24(28)19-7-3-4-8-22(19)31-16-23(27)25-10-5-6-11-25/h3-4,7-8,13-14H,5-6,9-12,15-16H2,1-2H3