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

Systemtic Name: diethyl 5-[[3-(4-chloranylphenoxy)-5-nitro-phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[3-(4-chlorophenoxy)-5-nitro-phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[3-(4-chlorophenoxy)-5-nitroanilino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[3-(4-chlorophenoxy)-5-nitrophenyl]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[3-(4-chlorophenoxy)-5-nitro-phenyl]thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C24H22ClN3O7S2 MolecularWeight: 564.03038

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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)OC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C24H22ClN3O7S2/c1-4-33-22(29)19-13(3)20(23(30)34-5-2)37-21(19)27-24(36)26-15-10-16(28(31)32)12-18(11-15)35-17-8-6-14(25)7-9-17/h6-12H,4-5H2,1-3H3,(H2,26,27,36)