6-[2-[[2-[(4-methoxyphenyl)methyl]-3-oxidanylidene-1H-isoindol-1-yl]sulfanyl]ethanoylamino]pyridine-3-carboxylic acid

Systemtic Name: 6-[2-[[2-[(4-methoxyphenyl)methyl]-3-oxidanylidene-1H-isoindol-1-yl]sulfanyl]ethanoylamino]pyridine-3-carboxylic acid Openeye Name: 6-[[2-[2-[(4-methoxyphenyl)methyl]-3-oxo-isoindolin-1-yl]sulfanylacetyl]amino]pyridine-3-carboxylic acid CAS Name: 6-[[2-[[2-[(4-methoxyphenyl)methyl]-3-oxo-1H-isoindol-1-yl]thio]-1-oxoethyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 6-[[2-[[2-[(4-methoxyphenyl)methyl]-3-oxo-1H-isoindol-1-yl]sulfanyl]acetyl]amino]pyridine-3-carboxylic acid Traditional Name: 6-[[2-[(3-keto-2-p-anisyl-isoindolin-1-yl)thio]acetyl]amino]nicotinic acid Formula: C24H21N3O5S MolecularWeight: 463.50564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(C3=CC=CC=C3C2=O)SCC(=O)NC4=NC=C(C=C4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(C3=CC=CC=C3C2=O)SCC(=O)NC4=NC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H21N3O5S/c1-32-17-9-6-15(7-10-17)13-27-22(29)18-4-2-3-5-19(18)23(27)33-14-21(28)26-20-11-8-16(12-25-20)24(30)31/h2-12,23H,13-14H2,1H3,(H,30,31)(H,25,26,28)