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

Systemtic Name: 2-methyl-5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]benzoic acid Openeye Name: 2-methyl-5-[[4-(2-thienyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]benzoic acid CAS Name: 2-methyl-5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]benzoic acid IUPAC Name: 2-methyl-5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]benzoic acid Traditional Name: 2-methyl-5-[[4-(2-thienyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]benzoic acid Formula: C19H17NO4S3 MolecularWeight: 419.53758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=C(C2C4=CC=CS4)C=CS3)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=C(C2C4=CC=CS4)C=CS3)C(=O)O

InChI

InChI=1S/C19H17NO4S3/c1-12-4-5-13(11-15(12)19(21)22)27(23,24)20-8-6-16-14(7-10-26-16)18(20)17-3-2-9-25-17/h2-5,7,9-11,18H,6,8H2,1H3,(H,21,22)