[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate CAS Name: 2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]acetic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate Traditional Name: 2-(pyrrolidine-1-carbothioylthio)acetic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C17H22N2O3S2 MolecularWeight: 366.49818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)COC(=O)CSC(=S)N2CCCC2)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)COC(=O)CSC(=S)N2CCCC2)C

InChI

InChI=1S/C17H22N2O3S2/c1-12-7-13(2)9-14(8-12)18-15(20)10-22-16(21)11-24-17(23)19-5-3-4-6-19/h7-9H,3-6,10-11H2,1-2H3,(H,18,20)