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

Systemtic Name: 4-[[4-oxidanylidene-2-(3-pyridin-4-ylprop-1-ynyl)thieno[3,2-c]pyridin-5-yl]methyl]benzoic acid Openeye Name: 4-[[4-oxo-2-[3-(4-pyridyl)prop-1-ynyl]thieno[3,2-c]pyridin-5-yl]methyl]benzoic acid CAS Name: 4-[[4-oxo-2-(3-pyridin-4-ylprop-1-ynyl)-5-thieno[3,2-c]pyridinyl]methyl]benzoic acid IUPAC Name: 4-[[4-oxo-2-(3-pyridin-4-ylprop-1-ynyl)thieno[3,2-c]pyridin-5-yl]methyl]benzoic acid Traditional Name: 4-[[4-keto-2-[3-(4-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(=CC=C1CN2C=CC3=C(C2=O)C=C(S3)C#CCC4=CC=NC=C4)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CN2C=CC3=C(C2=O)C=C(S3)C#CCC4=CC=NC=C4)C(=O)O

InChI

InChI=1S/C23H16N2O3S/c26-22-20-14-19(3-1-2-16-8-11-24-12-9-16)29-21(20)10-13-25(22)15-17-4-6-18(7-5-17)23(27)28/h4-14H,2,15H2,(H,27,28)