ethyl 5-[(3-chlorophenyl)carbamoyl]-4-methyl-2-(methylsulfanylcarbothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-[(3-chlorophenyl)carbamoyl]-4-methyl-2-(methylsulfanylcarbothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-[(3-chlorophenyl)carbamoyl]-4-methyl-2-(methylsulfanylcarbothioylamino)thiophene-3-carboxylate CAS Name: 5-[(3-chloroanilino)-oxomethyl]-4-methyl-2-[[(methylthio)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3-chlorophenyl)carbamoyl]-4-methyl-2-(methylsulfanylcarbothioylamino)thiophene-3-carboxylate Traditional Name: 5-[(3-chlorophenyl)carbamoyl]-4-methyl-2-[(methylthio)carbothioylamino]thiophene-3-carboxylic acid ethyl ester Formula: C17H17ClN2O3S3 MolecularWeight: 428.97648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC(=CC=C2)Cl)NC(=S)SC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC(=CC=C2)Cl)NC(=S)SC

InChI

InChI=1S/C17H17ClN2O3S3/c1-4-23-16(22)12-9(2)13(26-15(12)20-17(24)25-3)14(21)19-11-7-5-6-10(18)8-11/h5-8H,4H2,1-3H3,(H,19,21)(H,20,24)