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

Systemtic Name: 4-[[4-oxidanylidene-2-(3-pyridin-3-ylprop-1-ynyl)thieno[3,2-c]pyridin-5-yl]methyl]benzoic acid Openeye Name: 4-[[4-oxo-2-[3-(3-pyridyl)prop-1-ynyl]thieno[3,2-c]pyridin-5-yl]methyl]benzoic acid CAS Name: 4-[[4-oxo-2-[3-(3-pyridinyl)prop-1-ynyl]-5-thieno[3,2-c]pyridinyl]methyl]benzoic acid IUPAC Name: 4-[[4-oxo-2-(3-pyridin-3-ylprop-1-ynyl)thieno[3,2-c]pyridin-5-yl]methyl]benzoic acid Traditional Name: 4-[[4-keto-2-[3-(3-pyridyl)prop-1-ynyl]thieno[3,2-c]pyridin-5-yl]methyl]benzoic acid Formula: C23H16N2O3S MolecularWeight: 400.44974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC#CC2=CC3=C(S2)C=CN(C3=O)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)CC#CC2=CC3=C(S2)C=CN(C3=O)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H16N2O3S/c26-22-20-13-19(5-1-3-16-4-2-11-24-14-16)29-21(20)10-12-25(22)15-17-6-8-18(9-7-17)23(27)28/h2,4,6-14H,3,15H2,(H,27,28)