2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-keto-ethyl]thio]benzoic acid Formula: C16H15NO3S2 MolecularWeight: 333.4252

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1SC=C2)C(=O)CSC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CN(CC2=C1SC=C2)C(=O)CSC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C16H15NO3S2/c18-15(17-7-5-13-11(9-17)6-8-21-13)10-22-14-4-2-1-3-12(14)16(19)20/h1-4,6,8H,5,7,9-10H2,(H,19,20)