5-[(3-methoxyphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-8-carboxylic acid

Systemtic Name: 5-[(3-methoxyphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-8-carboxylic acid Openeye Name: 5-[(3-methoxyphenyl)methyl]-6-oxo-benzo[b][1,4]benzothiazepine-8-carboxylic acid CAS Name: 5-[(3-methoxyphenyl)methyl]-6-oxo-8-benzo[b][1,4]benzothiazepinecarboxylic acid IUPAC Name: 5-[(3-methoxyphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-8-carboxylic acid Traditional Name: 6-keto-5-m-anisyl-benzo[b][1,4]benzothiazepine-8-carboxylic acid Formula: C22H17NO4S MolecularWeight: 391.43968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2C3=CC=CC=C3SC4=C(C2=O)C=C(C=C4)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)CN2C3=CC=CC=C3SC4=C(C2=O)C=C(C=C4)C(=O)O

InChI

InChI=1S/C22H17NO4S/c1-27-16-6-4-5-14(11-16)13-23-18-7-2-3-8-20(18)28-19-10-9-15(22(25)26)12-17(19)21(23)24/h2-12H,13H2,1H3,(H,25,26)