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

Systemtic Name: 2-bromanyl-5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]benzoic acid Openeye Name: 2-bromo-5-[[4-(2-thienyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]benzoic acid CAS Name: 2-bromo-5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]benzoic acid IUPAC Name: 2-bromo-5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]benzoic acid Traditional Name: 2-bromo-5-[[4-(2-thienyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]benzoic acid Formula: C18H14BrNO4S3 MolecularWeight: 484.40706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrNO4S3/c19-14-4-3-11(10-13(14)18(21)22)27(23,24)20-7-5-15-12(6-9-26-15)17(20)16-2-1-8-25-16/h1-4,6,8-10,17H,5,7H2,(H,21,22)