ethyl 4-(2-chlorophenyl)-2-(cyclopropylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(2-chlorophenyl)-2-(cyclopropylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(2-chlorophenyl)-2-(cyclopropylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(2-chlorophenyl)-2-[[(cyclopropylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-chlorophenyl)-2-(cyclopropylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-(2-chlorophenyl)-2-(cyclopropylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C17H17ClN2O2S2 MolecularWeight: 380.91208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=S)NC3CC3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=S)NC3CC3

InChI

InChI=1S/C17H17ClN2O2S2/c1-2-22-16(21)14-12(11-5-3-4-6-13(11)18)9-24-15(14)20-17(23)19-10-7-8-10/h3-6,9-10H,2,7-8H2,1H3,(H2,19,20,23)