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

Systemtic Name: N-cyclopentyl-5-[(3-methoxyphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-cyclopentyl-5-[(3-methoxyphenyl)methyl]-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-cyclopentyl-5-[(3-methoxyphenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-cyclopentyl-5-[(3-methoxyphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-cyclopentyl-6-keto-5-m-anisyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C27H26N2O3S MolecularWeight: 458.57194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2C3=C(C=CC(=C3)C(=O)NC4CCCC4)SC5=CC=CC=C5C2=O

Isomeric SMILES

COC1=CC=CC(=C1)CN2C3=C(C=CC(=C3)C(=O)NC4CCCC4)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C27H26N2O3S/c1-32-21-10-6-7-18(15-21)17-29-23-16-19(26(30)28-20-8-2-3-9-20)13-14-25(23)33-24-12-5-4-11-22(24)27(29)31/h4-7,10-16,20H,2-3,8-9,17H2,1H3,(H,28,30)