methyl 5-[2-(4-chlorophenyl)sulfanylethylcarbamothioylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: methyl 5-[2-(4-chlorophenyl)sulfanylethylcarbamothioylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 5-[2-(4-chlorophenyl)sulfanylethylcarbamothioylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[[2-[(4-chlorophenyl)thio]ethylamino]-sulfanylidenemethyl]amino]-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[2-(4-chlorophenyl)sulfanylethylcarbamothioylamino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[2-[(4-chlorophenyl)thio]ethylthiocarbamoylamino]-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C16H17ClN2O2S3 MolecularWeight: 400.96638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=S)NCCSC2=CC=C(C=C2)Cl)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1)NC(=S)NCCSC2=CC=C(C=C2)Cl)C(=O)OC

InChI

InChI=1S/C16H17ClN2O2S3/c1-10-9-13(24-14(10)15(20)21-2)19-16(22)18-7-8-23-12-5-3-11(17)4-6-12/h3-6,9H,7-8H2,1-2H3,(H2,18,19,22)