3-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]benzoic acid

Systemtic Name: 3-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]benzoic acid Openeye Name: 3-[[4-(2-thienyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]benzoic acid CAS Name: 3-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]benzoic acid IUPAC Name: 3-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]benzoic acid Traditional Name: 3-[[4-(2-thienyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]benzoic acid Formula: C18H15NO4S3 MolecularWeight: 405.511

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=C1SC=C2)C3=CC=CS3)S(=O)(=O)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1CN(C(C2=C1SC=C2)C3=CC=CS3)S(=O)(=O)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C18H15NO4S3/c20-18(21)12-3-1-4-13(11-12)26(22,23)19-8-6-15-14(7-10-25-15)17(19)16-5-2-9-24-16/h1-5,7,9-11,17H,6,8H2,(H,20,21)