2-methoxy-4-(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-ylcarbonyl)benzoic acid

Systemtic Name: 2-methoxy-4-(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-ylcarbonyl)benzoic acid Openeye Name: 2-methoxy-4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)benzoic acid CAS Name: 2-methoxy-4-[oxo(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-yl)methyl]benzoic acid IUPAC Name: 2-methoxy-4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)benzoic acid Traditional Name: 2-methoxy-4-(5,6,7,8-tetrahydrothien[3,2-b]azepine-4-carbonyl)benzoic acid Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CCCCC3=C2C=CS3)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CCCCC3=C2C=CS3)C(=O)O

InChI

InChI=1S/C17H17NO4S/c1-22-14-10-11(5-6-12(14)17(20)21)16(19)18-8-3-2-4-15-13(18)7-9-23-15/h5-7,9-10H,2-4,8H2,1H3,(H,20,21)