methyl 4-[3-[2-(dimethylcarbamothioylsulfanyl)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzoate

Systemtic Name: methyl 4-[3-[2-(dimethylcarbamothioylsulfanyl)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: methyl 4-[3-[2-(dimethylcarbamothioylsulfanyl)acetyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[2-[[dimethylamino(sulfanylidene)methyl]thio]-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[2-(dimethylcarbamothioylsulfanyl)acetyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-[2-(dimethylthiocarbamoylthio)acetyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid methyl ester Formula: C19H22N2O3S2 MolecularWeight: 390.51958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)CSC(=S)N(C)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)CSC(=S)N(C)C

InChI

InChI=1S/C19H22N2O3S2/c1-12-10-16(17(22)11-26-19(25)20(3)4)13(2)21(12)15-8-6-14(7-9-15)18(23)24-5/h6-10H,11H2,1-5H3