methyl 6-[2-[(4-chlorophenyl)carbamoylamino]phenyl]sulfanyl-5-nitro-pyridine-3-carboxylate

Systemtic Name: methyl 6-[2-[(4-chlorophenyl)carbamoylamino]phenyl]sulfanyl-5-nitro-pyridine-3-carboxylate Openeye Name: methyl 6-[2-[(4-chlorophenyl)carbamoylamino]phenyl]sulfanyl-5-nitro-pyridine-3-carboxylate CAS Name: 6-[[2-[[(4-chloroanilino)-oxomethyl]amino]phenyl]thio]-5-nitro-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[2-[(4-chlorophenyl)carbamoylamino]phenyl]sulfanyl-5-nitropyridine-3-carboxylate Traditional Name: 6-[[2-[(4-chlorophenyl)carbamoylamino]phenyl]thio]-5-nitro-nicotinic acid methyl ester Formula: C20H15ClN4O5S MolecularWeight: 458.8749

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(N=C1)SC2=CC=CC=C2NC(=O)NC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(N=C1)SC2=CC=CC=C2NC(=O)NC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H15ClN4O5S/c1-30-19(26)12-10-16(25(28)29)18(22-11-12)31-17-5-3-2-4-15(17)24-20(27)23-14-8-6-13(21)7-9-14/h2-11H,1H3,(H2,23,24,27)