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

Systemtic Name: 5-[(2,5-dimethylphenyl)methyl]-3-morpholin-4-ylcarbonyl-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 5-[(2,5-dimethylphenyl)methyl]-3-(morpholine-4-carbonyl)benzo[b][1,4]benzothiazepin-6-one CAS Name: 5-[(2,5-dimethylphenyl)methyl]-3-[4-morpholinyl(oxo)methyl]-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 5-[(2,5-dimethylphenyl)methyl]-3-(morpholine-4-carbonyl)benzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-(2,5-dimethylbenzyl)-3-(morpholine-4-carbonyl)benzo[b][1,4]benzothiazepin-6-one Formula: C27H26N2O3S MolecularWeight: 458.57194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C3=C(C=CC(=C3)C(=O)N4CCOCC4)SC5=CC=CC=C5C2=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C3=C(C=CC(=C3)C(=O)N4CCOCC4)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C27H26N2O3S/c1-18-7-8-19(2)21(15-18)17-29-23-16-20(26(30)28-11-13-32-14-12-28)9-10-25(23)33-24-6-4-3-5-22(24)27(29)31/h3-10,15-16H,11-14,17H2,1-2H3