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

Systemtic Name: dimethyl 5-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[(2-chloro-5-nitro-phenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2-chloro-5-nitrophenyl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(2-chloro-5-nitro-phenyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C16H14ClN3O6S2 MolecularWeight: 443.88186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN3O6S2/c1-7-11(14(21)25-2)13(28-12(7)15(22)26-3)19-16(27)18-10-6-8(20(23)24)4-5-9(10)17/h4-6H,1-3H3,(H2,18,19,27)