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

Systemtic Name: diethyl 3-methyl-5-[(2-nitrophenyl)carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(2-nitrophenyl)carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(2-nitroanilino)-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(2-nitrophenyl)carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(2-nitrophenyl)thiocarbamoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C18H19N3O6S2 MolecularWeight: 437.48996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O6S2/c1-4-26-16(22)13-10(3)14(17(23)27-5-2)29-15(13)20-18(28)19-11-8-6-7-9-12(11)21(24)25/h6-9H,4-5H2,1-3H3,(H2,19,20,28)