methyl 2-chloranyl-7-(2-methylphenyl)-4-oxidanylidene-thieno[2,3-b]pyridine-5-carboxylate

Systemtic Name: methyl 2-chloranyl-7-(2-methylphenyl)-4-oxidanylidene-thieno[2,3-b]pyridine-5-carboxylate Openeye Name: methyl 2-chloro-7-(o-tolyl)-4-oxo-thieno[2,3-b]pyridine-5-carboxylate CAS Name: 2-chloro-7-(2-methylphenyl)-4-oxo-5-thieno[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-chloro-7-(2-methylphenyl)-4-oxothieno[2,3-b]pyridine-5-carboxylate Traditional Name: 2-chloro-4-keto-7-(o-tolyl)thieno[2,3-b]pyridine-5-carboxylic acid methyl ester Formula: C16H12ClNO3S MolecularWeight: 333.78938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=C(C(=O)C3=C2SC(=C3)Cl)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1N2C=C(C(=O)C3=C2SC(=C3)Cl)C(=O)OC

InChI

InChI=1S/C16H12ClNO3S/c1-9-5-3-4-6-12(9)18-8-11(16(20)21-2)14(19)10-7-13(17)22-15(10)18/h3-8H,1-2H3