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

Systemtic Name: 2-methyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]benzoic acid Openeye Name: 2-methyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]benzoic acid CAS Name: 2-methyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]benzoic acid IUPAC Name: 2-methyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]benzoic acid Traditional Name: 2-methyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]benzoic acid Formula: C16H17NO4S2 MolecularWeight: 351.44048

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(CCN1S(=O)(=O)C3=CC(=C(C=C3)C)C(=O)O)SC=C2

Isomeric SMILES

CC1C2=C(CCN1S(=O)(=O)C3=CC(=C(C=C3)C)C(=O)O)SC=C2

InChI

InChI=1S/C16H17NO4S2/c1-10-3-4-12(9-14(10)16(18)19)23(20,21)17-7-5-15-13(11(17)2)6-8-22-15/h3-4,6,8-9,11H,5,7H2,1-2H3,(H,18,19)