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

Systemtic Name: ethyl 5-methyl-2-(phenylcarbonylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 2-(benzoylcarbamothioylamino)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[benzamido(sulfanylidene)methyl]amino]-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzoylcarbamothioylamino)-5-methylthiophene-3-carboxylate Traditional Name: 2-(benzoylthiocarbamoylamino)-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C16H16N2O3S2 MolecularWeight: 348.43984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O3S2/c1-3-21-15(20)12-9-10(2)23-14(12)18-16(22)17-13(19)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H2,17,18,19,22)