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

Systemtic Name: diethyl 5-[(4-ethoxy-2-nitro-phenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(4-ethoxy-2-nitro-phenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(4-ethoxy-2-nitroanilino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(4-ethoxy-2-nitrophenyl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(4-ethoxy-2-nitro-phenyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H23N3O7S2 MolecularWeight: 481.54252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=S)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=S)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O7S2/c1-5-28-12-8-9-13(14(10-12)23(26)27)21-20(31)22-17-15(18(24)29-6-2)11(4)16(32-17)19(25)30-7-3/h8-10H,5-7H2,1-4H3,(H2,21,22,31)