5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]pyrido[2,3-b][1,4]benzothiazepin-6-one

Systemtic Name: 5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]pyrido[2,3-b][1,4]benzothiazepin-6-one Openeye Name: 5-[2-(azepan-1-yl)-2-oxo-ethyl]pyrido[2,3-b][1,4]benzothiazepin-6-one CAS Name: 5-[2-(1-azepanyl)-2-oxoethyl]-6-pyrido[2,3-b][1,4]benzothiazepinone IUPAC Name: 5-[2-(azepan-1-yl)-2-oxoethyl]pyrido[2,3-b][1,4]benzothiazepin-6-one Traditional Name: 5-[2-(azepan-1-yl)-2-keto-ethyl]pyrido[2,3-b][1,4]benzothiazepin-6-one Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O

InChI

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