ethyl 5-(4-chlorophenyl)-3-(cyclopropylcarbamothioylamino)thiophene-2-carboxylate

Systemtic Name: ethyl 5-(4-chlorophenyl)-3-(cyclopropylcarbamothioylamino)thiophene-2-carboxylate Openeye Name: ethyl 5-(4-chlorophenyl)-3-(cyclopropylcarbamothioylamino)thiophene-2-carboxylate CAS Name: 5-(4-chlorophenyl)-3-[[(cyclopropylamino)-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-chlorophenyl)-3-(cyclopropylcarbamothioylamino)thiophene-2-carboxylate Traditional Name: 5-(4-chlorophenyl)-3-(cyclopropylthiocarbamoylamino)thiophene-2-carboxylic acid ethyl ester Formula: C17H17ClN2O2S2 MolecularWeight: 380.91208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Cl)NC(=S)NC3CC3

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Cl)NC(=S)NC3CC3

InChI

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