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

Systemtic Name: 4-methoxy-3-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]benzoic acid Openeye Name: 4-methoxy-3-[[4-(2-thienyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]benzoic acid CAS Name: 4-methoxy-3-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]benzoic acid IUPAC Name: 4-methoxy-3-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]benzoic acid Traditional Name: 4-methoxy-3-[[4-(2-thienyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]benzoic acid Formula: C19H17NO5S3 MolecularWeight: 435.53698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCC3=C(C2C4=CC=CS4)C=CS3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCC3=C(C2C4=CC=CS4)C=CS3

InChI

InChI=1S/C19H17NO5S3/c1-25-14-5-4-12(19(21)22)11-17(14)28(23,24)20-8-6-15-13(7-10-27-15)18(20)16-3-2-9-26-16/h2-5,7,9-11,18H,6,8H2,1H3,(H,21,22)