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

Systemtic Name: 6-(4-oxidanylidene-4-pyrrolidin-1-yl-butyl)pyrido[2,3-b][1,5]benzothiazepin-5-one Openeye Name: 6-(4-oxo-4-pyrrolidin-1-yl-butyl)pyrido[2,3-b][1,5]benzothiazepin-5-one CAS Name: 6-[4-oxo-4-(1-pyrrolidinyl)butyl]-5-pyrido[2,3-b][1,5]benzothiazepinone IUPAC Name: 6-(4-oxo-4-pyrrolidin-1-ylbutyl)pyrido[2,3-b][1,5]benzothiazepin-5-one Traditional Name: 6-(4-keto-4-pyrrolidino-butyl)pyrido[2,3-b][1,5]benzothiazepin-5-one Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CCCN2C3=CC=CC=C3SC4=C(C2=O)C=CC=N4

Isomeric SMILES

C1CCN(C1)C(=O)CCCN2C3=CC=CC=C3SC4=C(C2=O)C=CC=N4

InChI

InChI=1S/C20H21N3O2S/c24-18(22-12-3-4-13-22)10-6-14-23-16-8-1-2-9-17(16)26-19-15(20(23)25)7-5-11-21-19/h1-2,5,7-9,11H,3-4,6,10,12-14H2