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

Systemtic Name: 2-chloranyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]benzoic acid Openeye Name: 2-chloro-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]benzoic acid CAS Name: 2-chloro-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]benzoic acid IUPAC Name: 2-chloro-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]benzoic acid Traditional Name: 2-chloro-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]benzoic acid Formula: C15H14ClNO4S2 MolecularWeight: 371.85896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14ClNO4S2/c1-9-11-5-7-22-14(11)4-6-17(9)23(20,21)10-2-3-13(16)12(8-10)15(18)19/h2-3,5,7-9H,4,6H2,1H3,(H,18,19)