ethyl 5-ethanoyl-4-methyl-2-(phenylcarbonylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethanoyl-4-methyl-2-(phenylcarbonylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-(benzoylcarbamothioylamino)-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[benzamido(sulfanylidene)methyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-(benzoylcarbamothioylamino)-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-(benzoylthiocarbamoylamino)-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O4S2/c1-4-24-17(23)13-10(2)14(11(3)21)26-16(13)20-18(25)19-15(22)12-8-6-5-7-9-12/h5-9H,4H2,1-3H3,(H2,19,20,22,25)