ethyl 2-[(3-chlorophenyl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3-chlorophenyl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(3-chlorophenyl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[(3-chloroanilino)-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-chlorophenyl)carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[(3-chlorophenyl)thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C16H17ClN2O2S2 MolecularWeight: 368.90138

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CC(=CC=C2)Cl)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CC(=CC=C2)Cl)C(=O)OCC

InChI

InChI=1S/C16H17ClN2O2S2/c1-3-12-9-13(15(20)21-4-2)14(23-12)19-16(22)18-11-7-5-6-10(17)8-11/h5-9H,3-4H2,1-2H3,(H2,18,19,22)