[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate CAS Name: 2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]acetic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate Traditional Name: 2-(pyrrolidine-1-carbothioylthio)acetic acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C17H22N2O5S2 MolecularWeight: 398.49698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)CSC(=S)N2CCCC2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)CSC(=S)N2CCCC2)OC

InChI

InChI=1S/C17H22N2O5S2/c1-22-13-6-5-12(9-14(13)23-2)18-15(20)10-24-16(21)11-26-17(25)19-7-3-4-8-19/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H,18,20)