1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanone

Systemtic Name: 1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanone Openeye Name: 1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanone CAS Name: 1-[2-(2,4-dimethoxyphenyl)-1-pyrrolidinyl]-2-[(4-methoxy-3-nitrophenyl)methylthio]ethanone IUPAC Name: 1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]ethanone Traditional Name: 1-[2-(2,4-dimethoxyphenyl)pyrrolidino]-2-[(4-methoxy-3-nitro-benzyl)thio]ethanone Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CCCN2C(=O)CSCC3=CC(=C(C=C3)OC)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2CCCN2C(=O)CSCC3=CC(=C(C=C3)OC)[N+](=O)[O-])OC

InChI

InChI=1S/C22H26N2O6S/c1-28-16-7-8-17(21(12-16)30-3)18-5-4-10-23(18)22(25)14-31-13-15-6-9-20(29-2)19(11-15)24(26)27/h6-9,11-12,18H,4-5,10,13-14H2,1-3H3