6-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]pyrido[2,3-b][1,5]benzothiazepin-5-one

Systemtic Name: 6-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]pyrido[2,3-b][1,5]benzothiazepin-5-one Openeye Name: 6-[2-(azepan-1-yl)-2-oxo-ethyl]pyrido[2,3-b][1,5]benzothiazepin-5-one CAS Name: 6-[2-(1-azepanyl)-2-oxoethyl]-5-pyrido[2,3-b][1,5]benzothiazepinone IUPAC Name: 6-[2-(azepan-1-yl)-2-oxoethyl]pyrido[2,3-b][1,5]benzothiazepin-5-one Traditional Name: 6-[2-(azepan-1-yl)-2-keto-ethyl]pyrido[2,3-b][1,5]benzothiazepin-5-one Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C3=CC=CC=C3SC4=C(C2=O)C=CC=N4

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C3=CC=CC=C3SC4=C(C2=O)C=CC=N4

InChI

InChI=1S/C20H21N3O2S/c24-18(22-12-5-1-2-6-13-22)14-23-16-9-3-4-10-17(16)26-19-15(20(23)25)8-7-11-21-19/h3-4,7-11H,1-2,5-6,12-14H2