[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate CAS Name: 2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]acetic acid [2-(2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate Traditional Name: 2-(pyrrolidine-1-carbothioylthio)acetic acid [2-(2,6-dimethylanilino)-2-keto-ethyl] ester Formula: C17H22N2O3S2 MolecularWeight: 366.49818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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