ethyl 4-(2-chlorophenyl)-2-(prop-2-enylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(2-chlorophenyl)-2-(prop-2-enylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 2-(allylcarbamothioylamino)-4-(2-chlorophenyl)thiophene-3-carboxylate CAS Name: 4-(2-chlorophenyl)-2-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-chlorophenyl)-2-(prop-2-enylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 2-(allylthiocarbamoylamino)-4-(2-chlorophenyl)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)NCC=C

Isomeric SMILES

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

InChI

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