5-[(4-methylphenyl)methyl]-6-oxidanylidene-N-(oxolan-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 5-[(4-methylphenyl)methyl]-6-oxidanylidene-N-(oxolan-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-oxo-5-(p-tolylmethyl)-N-(tetrahydrofuran-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(4-methylphenyl)methyl]-6-oxo-N-(2-oxolanylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-[(4-methylphenyl)methyl]-6-oxo-N-(oxolan-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-keto-5-(4-methylbenzyl)-N-(tetrahydrofurfuryl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C27H26N2O3S MolecularWeight: 458.57194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)NCC4CCCO4)SC5=CC=CC=C5C2=O

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)NCC4CCCO4)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C27H26N2O3S/c1-18-8-10-19(11-9-18)17-29-23-15-20(26(30)28-16-21-5-4-14-32-21)12-13-25(23)33-24-7-3-2-6-22(24)27(29)31/h2-3,6-13,15,21H,4-5,14,16-17H2,1H3,(H,28,30)