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

Systemtic Name: dimethyl 3-methyl-5-[(2-methyl-3-nitro-phenyl)carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[(2-methyl-3-nitro-phenyl)carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(2-methyl-3-nitroanilino)-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[(2-methyl-3-nitrophenyl)carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(2-methyl-3-nitro-phenyl)thiocarbamoylamino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H17N3O6S2 MolecularWeight: 423.46338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=S)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=S)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC

InChI

InChI=1S/C17H17N3O6S2/c1-8-10(6-5-7-11(8)20(23)24)18-17(27)19-14-12(15(21)25-3)9(2)13(28-14)16(22)26-4/h5-7H,1-4H3,(H2,18,19,27)