ethyl 4-(4-chlorophenyl)-2-(2,2-dimethylpropanoylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-2-(2,2-dimethylpropanoylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-2-(2,2-dimethylpropanoylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-[[[(2,2-dimethyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-2-(2,2-dimethylpropanoylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-(pivaloylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C19H21ClN2O3S2 MolecularWeight: 424.96464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=S)NC(=O)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=S)NC(=O)C(C)(C)C

InChI

InChI=1S/C19H21ClN2O3S2/c1-5-25-16(23)14-13(11-6-8-12(20)9-7-11)10-27-15(14)21-18(26)22-17(24)19(2,3)4/h6-10H,5H2,1-4H3,(H2,21,22,24,26)