5-ethyl-11-oxidanylidene-3-piperidin-1-ylcarbonyl-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 5-ethyl-11-oxidanylidene-3-piperidin-1-ylcarbonyl-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 5-ethyl-11-oxo-3-(piperidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one CAS Name: 5-ethyl-11-oxo-3-[oxo(1-piperidinyl)methyl]-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 5-ethyl-11-oxo-3-(piperidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-ethyl-11-keto-3-(piperidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C(=O)N3CCCCC3)S(=O)C4=CC=CC=C4C1=O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)C(=O)N3CCCCC3)S(=O)C4=CC=CC=C4C1=O

InChI

InChI=1S/C21H22N2O3S/c1-2-23-17-14-15(20(24)22-12-6-3-7-13-22)10-11-19(17)27(26)18-9-5-4-8-16(18)21(23)25/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3