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

Systemtic Name: 4-[[4-oxidanylidene-2-(3-phenylprop-1-ynyl)thieno[3,2-c]pyridin-5-yl]methyl]benzoic acid Openeye Name: 4-[[4-oxo-2-(3-phenylprop-1-ynyl)thieno[3,2-c]pyridin-5-yl]methyl]benzoic acid CAS Name: 4-[[4-oxo-2-(3-phenylprop-1-ynyl)-5-thieno[3,2-c]pyridinyl]methyl]benzoic acid IUPAC Name: 4-[[4-oxo-2-(3-phenylprop-1-ynyl)thieno[3,2-c]pyridin-5-yl]methyl]benzoic acid Traditional Name: 4-[[4-keto-2-(3-phenylprop-1-ynyl)thieno[3,2-c]pyridin-5-yl]methyl]benzoic acid Formula: C24H17NO3S MolecularWeight: 399.46168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H17NO3S/c26-23-21-15-20(8-4-7-17-5-2-1-3-6-17)29-22(21)13-14-25(23)16-18-9-11-19(12-10-18)24(27)28/h1-3,5-6,9-15H,7,16H2,(H,27,28)