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

Systemtic Name: ethyl 4,5-dimethyl-2-(phenylcarbonylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 2-(benzoylcarbamothioylamino)-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[benzamido(sulfanylidene)methyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzoylcarbamothioylamino)-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-(benzoylthiocarbamoylamino)-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C17H18N2O3S2 MolecularWeight: 362.46642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O3S2/c1-4-22-16(21)13-10(2)11(3)24-15(13)19-17(23)18-14(20)12-8-6-5-7-9-12/h5-9H,4H2,1-3H3,(H2,18,19,20,23)