1-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-quinolin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-quinolin-2-ylsulfanyl-ethanone Openeye Name: 1-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2-quinolylsulfanyl)ethanone CAS Name: 1-[(2S)-2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-2-(2-quinolinylthio)ethanone IUPAC Name: 1-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-quinolin-2-ylsulfanylethanone Traditional Name: 1-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidino]-2-(2-quinolylthio)ethanone Formula: C23H24N2O3S MolecularWeight: 408.51326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)CSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[C@@H]2CCCN2C(=O)CSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H24N2O3S/c1-27-17-10-11-21(28-2)18(14-17)20-8-5-13-25(20)23(26)15-29-22-12-9-16-6-3-4-7-19(16)24-22/h3-4,6-7,9-12,14,20H,5,8,13,15H2,1-2H3/t20-/m0/s1