6-[(E)-2-(1-benzothiophen-5-yl)ethenyl]-1-(2-methyl-4-oxidanyl-phenyl)-4-oxidanylidene-pyridine-3-carboxylic acid

Systemtic Name: 6-[(E)-2-(1-benzothiophen-5-yl)ethenyl]-1-(2-methyl-4-oxidanyl-phenyl)-4-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 6-[(E)-2-(benzothiophen-5-yl)vinyl]-1-(4-hydroxy-2-methyl-phenyl)-4-oxo-pyridine-3-carboxylic acid CAS Name: 6-[(E)-2-(1-benzothiophen-5-yl)ethenyl]-1-(4-hydroxy-2-methylphenyl)-4-oxo-3-pyridinecarboxylic acid IUPAC Name: 6-[(E)-2-(1-benzothiophen-5-yl)ethenyl]-1-(4-hydroxy-2-methylphenyl)-4-oxopyridine-3-carboxylic acid Traditional Name: 6-[(E)-2-(benzothiophen-5-yl)vinyl]-1-(4-hydroxy-2-methyl-phenyl)-4-keto-nicotinic acid Formula: C23H17NO4S MolecularWeight: 403.45038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)O)N2C=C(C(=O)C=C2C=CC3=CC4=C(C=C3)SC=C4)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)O)N2C=C(C(=O)C=C2/C=C/C3=CC4=C(C=C3)SC=C4)C(=O)O

InChI

InChI=1S/C23H17NO4S/c1-14-10-18(25)5-6-20(14)24-13-19(23(27)28)21(26)12-17(24)4-2-15-3-7-22-16(11-15)8-9-29-22/h2-13,25H,1H3,(H,27,28)/b4-2+