4-[[7-methyl-4-oxidanylidene-2-(3-pyridin-3-ylprop-1-ynyl)thieno[3,2-c]pyridin-5-yl]methyl]benzoic acid

Systemtic Name: 4-[[7-methyl-4-oxidanylidene-2-(3-pyridin-3-ylprop-1-ynyl)thieno[3,2-c]pyridin-5-yl]methyl]benzoic acid Openeye Name: 4-[[7-methyl-4-oxo-2-[3-(3-pyridyl)prop-1-ynyl]thieno[3,2-c]pyridin-5-yl]methyl]benzoic acid CAS Name: 4-[[7-methyl-4-oxo-2-[3-(3-pyridinyl)prop-1-ynyl]-5-thieno[3,2-c]pyridinyl]methyl]benzoic acid IUPAC Name: 4-[[7-methyl-4-oxo-2-(3-pyridin-3-ylprop-1-ynyl)thieno[3,2-c]pyridin-5-yl]methyl]benzoic acid Traditional Name: 4-[[4-keto-7-methyl-2-[3-(3-pyridyl)prop-1-ynyl]thieno[3,2-c]pyridin-5-yl]methyl]benzoic acid Formula: C24H18N2O3S MolecularWeight: 414.47632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)C2=C1SC(=C2)C#CCC3=CN=CC=C3)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=CN(C(=O)C2=C1SC(=C2)C#CCC3=CN=CC=C3)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H18N2O3S/c1-16-14-26(15-18-7-9-19(10-8-18)24(28)29)23(27)21-12-20(30-22(16)21)6-2-4-17-5-3-11-25-13-17/h3,5,7-14H,4,15H2,1H3,(H,28,29)