5-[(3-methoxyphenyl)methyl]-6-oxidanylidene-N-(pyridin-3-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 5-[(3-methoxyphenyl)methyl]-6-oxidanylidene-N-(pyridin-3-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-[(3-methoxyphenyl)methyl]-6-oxo-N-(3-pyridylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(3-methoxyphenyl)methyl]-6-oxo-N-(3-pyridinylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-[(3-methoxyphenyl)methyl]-6-oxo-N-(pyridin-3-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-keto-5-m-anisyl-N-(3-pyridylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C28H23N3O3S MolecularWeight: 481.56552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2C3=C(C=CC(=C3)C(=O)NCC4=CN=CC=C4)SC5=CC=CC=C5C2=O

Isomeric SMILES

COC1=CC=CC(=C1)CN2C3=C(C=CC(=C3)C(=O)NCC4=CN=CC=C4)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C28H23N3O3S/c1-34-22-8-4-6-19(14-22)18-31-24-15-21(27(32)30-17-20-7-5-13-29-16-20)11-12-26(24)35-25-10-3-2-9-23(25)28(31)33/h2-16H,17-18H2,1H3,(H,30,32)