diethyl 3-methyl-5-[(4-methyl-3-nitro-phenyl)carbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[(4-methyl-3-nitro-phenyl)carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(4-methyl-3-nitro-phenyl)carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(4-methyl-3-nitroanilino)-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(4-methyl-3-nitrophenyl)carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(4-methyl-3-nitro-phenyl)thiocarbamoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C19H21N3O6S2 MolecularWeight: 451.51654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC(=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O6S2/c1-5-27-17(23)14-11(4)15(18(24)28-6-2)30-16(14)21-19(29)20-12-8-7-10(3)13(9-12)22(25)26/h7-9H,5-6H2,1-4H3,(H2,20,21,29)