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

Systemtic Name: dimethyl 5-[[3-(4-chloranylphenoxy)-5-nitro-phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C22H18ClN3O7S2 MolecularWeight: 535.97722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)Cl)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)Cl)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C22H18ClN3O7S2/c1-11-17(20(27)31-2)19(35-18(11)21(28)32-3)25-22(34)24-13-8-14(26(29)30)10-16(9-13)33-15-6-4-12(23)5-7-15/h4-10H,1-3H3,(H2,24,25,34)