5-[(2-methylphenyl)methyl]-3-morpholin-4-ylcarbonyl-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 5-[(2-methylphenyl)methyl]-3-morpholin-4-ylcarbonyl-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 3-(morpholine-4-carbonyl)-5-(o-tolylmethyl)benzo[b][1,4]benzothiazepin-6-one CAS Name: 5-[(2-methylphenyl)methyl]-3-[4-morpholinyl(oxo)methyl]-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 5-[(2-methylphenyl)methyl]-3-(morpholine-4-carbonyl)benzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-(2-methylbenzyl)-3-(morpholine-4-carbonyl)benzo[b][1,4]benzothiazepin-6-one Formula: C26H24N2O3S MolecularWeight: 444.54536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C3=C(C=CC(=C3)C(=O)N4CCOCC4)SC5=CC=CC=C5C2=O

Isomeric SMILES

CC1=CC=CC=C1CN2C3=C(C=CC(=C3)C(=O)N4CCOCC4)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C26H24N2O3S/c1-18-6-2-3-7-20(18)17-28-22-16-19(25(29)27-12-14-31-15-13-27)10-11-24(22)32-23-9-5-4-8-21(23)26(28)30/h2-11,16H,12-15,17H2,1H3