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

Systemtic Name: 4-(3,5-dihydro-2H-4,1-benzothiazepin-1-ylcarbonyl)-2-methoxy-benzoic acid Openeye Name: 4-(3,5-dihydro-2H-4,1-benzothiazepine-1-carbonyl)-2-methoxy-benzoic acid CAS Name: 4-[3,5-dihydro-2H-4,1-benzothiazepin-1-yl(oxo)methyl]-2-methoxybenzoic acid IUPAC Name: 4-(3,5-dihydro-2H-4,1-benzothiazepine-1-carbonyl)-2-methoxybenzoic acid Traditional Name: 4-(3,5-dihydro-2H-4,1-benzothiazepine-1-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)N2CCSCC3=CC=CC=C32)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CCSCC3=CC=CC=C32)C(=O)O

InChI

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