ethyl 5-(4-methylphenyl)sulfanyl-2,6-bis(3-nitrophenyl)-4-oxidanylidene-1H-pyridine-3-carboxylate

Systemtic Name: ethyl 5-(4-methylphenyl)sulfanyl-2,6-bis(3-nitrophenyl)-4-oxidanylidene-1H-pyridine-3-carboxylate Openeye Name: ethyl 2,6-bis(3-nitrophenyl)-4-oxo-5-(p-tolylsulfanyl)-1H-pyridine-3-carboxylate CAS Name: 5-[(4-methylphenyl)thio]-2,6-bis(3-nitrophenyl)-4-oxo-1H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-methylphenyl)sulfanyl-2,6-bis(3-nitrophenyl)-4-oxo-1H-pyridine-3-carboxylate Traditional Name: 4-keto-2,6-bis(3-nitrophenyl)-5-(p-tolylthio)-1H-pyridine-3-carboxylic acid ethyl ester Formula: C27H21N3O7S MolecularWeight: 531.53654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1=O)SC2=CC=C(C=C2)C)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1=O)SC2=CC=C(C=C2)C)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H21N3O7S/c1-3-37-27(32)22-23(17-6-4-8-19(14-17)29(33)34)28-24(18-7-5-9-20(15-18)30(35)36)26(25(22)31)38-21-12-10-16(2)11-13-21/h4-15H,3H2,1-2H3,(H,28,31)