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

Systemtic Name: 4-[[7-methyl-4-oxidanylidene-2-(3-pyridin-4-ylprop-1-ynyl)thieno[3,2-c]pyridin-5-yl]methyl]benzoic acid Openeye Name: 4-[[7-methyl-4-oxo-2-[3-(4-pyridyl)prop-1-ynyl]thieno[3,2-c]pyridin-5-yl]methyl]benzoic acid CAS Name: 4-[[7-methyl-4-oxo-2-(3-pyridin-4-ylprop-1-ynyl)-5-thieno[3,2-c]pyridinyl]methyl]benzoic acid IUPAC Name: 4-[[7-methyl-4-oxo-2-(3-pyridin-4-ylprop-1-ynyl)thieno[3,2-c]pyridin-5-yl]methyl]benzoic acid Traditional Name: 4-[[4-keto-7-methyl-2-[3-(4-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=CC=NC=C3)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C24H18N2O3S/c1-16-14-26(15-18-5-7-19(8-6-18)24(28)29)23(27)21-13-20(30-22(16)21)4-2-3-17-9-11-25-12-10-17/h5-14H,3,15H2,1H3,(H,28,29)