ethyl 4,5-dimethyl-2-(3-phenylpropanoylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-(3-phenylpropanoylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-(3-phenylpropanoylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-(3-phenylpropanoylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 2-(hydrocinnamoylthiocarbamoylamino)-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H22N2O3S2 MolecularWeight: 390.51958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C19H22N2O3S2/c1-4-24-18(23)16-12(2)13(3)26-17(16)21-19(25)20-15(22)11-10-14-8-6-5-7-9-14/h5-9H,4,10-11H2,1-3H3,(H2,20,21,22,25)