4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbonyl)-2-methoxy-benzoic acid

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbonyl)-2-methoxy-benzoic acid Openeye Name: 4-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-2-methoxy-benzoic acid CAS Name: 4-[3,4-dihydro-2H-1,5-benzothiazepin-5-yl(oxo)methyl]-2-methoxybenzoic acid IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-2-methoxybenzoic acid Traditional Name: 4-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-2-methoxy-benzoic acid Formula: C18H17NO4S MolecularWeight: 343.39688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CCCSC3=CC=CC=C32)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CCCSC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C18H17NO4S/c1-23-15-11-12(7-8-13(15)18(21)22)17(20)19-9-4-10-24-16-6-3-2-5-14(16)19/h2-3,5-8,11H,4,9-10H2,1H3,(H,21,22)