5-[(2-methylphenyl)methyl]-11-oxidanylidene-3-piperidin-1-ylcarbonyl-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 5-[(2-methylphenyl)methyl]-11-oxidanylidene-3-piperidin-1-ylcarbonyl-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 5-(o-tolylmethyl)-11-oxo-3-(piperidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one CAS Name: 5-[(2-methylphenyl)methyl]-11-oxo-3-[oxo(1-piperidinyl)methyl]-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 5-[(2-methylphenyl)methyl]-11-oxo-3-(piperidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one Traditional Name: 11-keto-5-(2-methylbenzyl)-3-(piperidine-1-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=CC=C1CN2C3=C(C=CC(=C3)C(=O)N4CCCCC4)S(=O)C5=CC=CC=C5C2=O

Isomeric SMILES

CC1=CC=CC=C1CN2C3=C(C=CC(=C3)C(=O)N4CCCCC4)S(=O)C5=CC=CC=C5C2=O

InChI

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