methyl 5-nitro-6-[2-(thiophen-2-ylcarbonylamino)phenyl]sulfanyl-pyridine-3-carboxylate

Systemtic Name: methyl 5-nitro-6-[2-(thiophen-2-ylcarbonylamino)phenyl]sulfanyl-pyridine-3-carboxylate Openeye Name: methyl 5-nitro-6-[2-(thiophene-2-carbonylamino)phenyl]sulfanyl-pyridine-3-carboxylate CAS Name: 5-nitro-6-[[2-[[oxo(thiophen-2-yl)methyl]amino]phenyl]thio]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-nitro-6-[2-(thiophene-2-carbonylamino)phenyl]sulfanylpyridine-3-carboxylate Traditional Name: 5-nitro-6-[[2-(2-thenoylamino)phenyl]thio]nicotinic acid methyl ester Formula: C18H13N3O5S2 MolecularWeight: 415.44292

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(N=C1)SC2=CC=CC=C2NC(=O)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(N=C1)SC2=CC=CC=C2NC(=O)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O5S2/c1-26-18(23)11-9-13(21(24)25)17(19-10-11)28-14-6-3-2-5-12(14)20-16(22)15-7-4-8-27-15/h2-10H,1H3,(H,20,22)