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

Systemtic Name: 4-chloranyl-3-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]benzoic acid Openeye Name: 4-chloro-3-[[4-(2-thienyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]benzoic acid CAS Name: 4-chloro-3-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]benzoic acid IUPAC Name: 4-chloro-3-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]benzoic acid Traditional Name: 4-chloro-3-[[4-(2-thienyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]benzoic acid Formula: C18H14ClNO4S3 MolecularWeight: 439.95606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClNO4S3/c19-13-4-3-11(18(21)22)10-16(13)27(23,24)20-7-5-14-12(6-9-26-14)17(20)15-2-1-8-25-15/h1-4,6,8-10,17H,5,7H2,(H,21,22)