5-[(2,5-dimethylphenyl)methyl]-N-(2-methoxyethyl)-6,11-bis(oxidanylidene)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 5-[(2,5-dimethylphenyl)methyl]-N-(2-methoxyethyl)-6,11-bis(oxidanylidene)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-[(2,5-dimethylphenyl)methyl]-N-(2-methoxyethyl)-6,11-dioxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(2,5-dimethylphenyl)methyl]-N-(2-methoxyethyl)-6,11-dioxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-[(2,5-dimethylphenyl)methyl]-N-(2-methoxyethyl)-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-(2,5-dimethylbenzyl)-6,11-diketo-N-(2-methoxyethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C3=C(C=CC(=C3)C(=O)NCCOC)S(=O)C4=CC=CC=C4C2=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C3=C(C=CC(=C3)C(=O)NCCOC)S(=O)C4=CC=CC=C4C2=O

InChI

InChI=1S/C26H26N2O4S/c1-17-8-9-18(2)20(14-17)16-28-22-15-19(25(29)27-12-13-32-3)10-11-24(22)33(31)23-7-5-4-6-21(23)26(28)30/h4-11,14-15H,12-13,16H2,1-3H3,(H,27,29)