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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O3S2/c1-12-6-5-7-14(13(12)2)18-15(20)10-22-16(21)11-24-17(23)19-8-3-4-9-19/h5-7H,3-4,8-11H2,1-2H3,(H,18,20)