(6-ethyl-8-methyl-benzo[b][1,4]benzothiazepin-3-yl)-pyrrolidin-1-yl-methanone

Systemtic Name: (6-ethyl-8-methyl-benzo[b][1,4]benzothiazepin-3-yl)-pyrrolidin-1-yl-methanone Openeye Name: (6-ethyl-8-methyl-benzo[b][1,4]benzothiazepin-3-yl)-pyrrolidin-1-yl-methanone CAS Name: (6-ethyl-8-methyl-3-benzo[b][1,4]benzothiazepinyl)-(1-pyrrolidinyl)methanone IUPAC Name: (6-ethyl-8-methylbenzo[b][1,4]benzothiazepin-3-yl)-pyrrolidin-1-ylmethanone Traditional Name: (6-ethyl-8-methyl-benzo[b][1,4]benzothiazepin-3-yl)-pyrrolidino-methanone Formula: C21H22N2OS MolecularWeight: 350.47718

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)N3CCCC3)SC4=C1C=C(C=C4)C

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)N3CCCC3)SC4=C1C=C(C=C4)C

InChI

InChI=1S/C21H22N2OS/c1-3-17-16-12-14(2)6-8-19(16)25-20-9-7-15(13-18(20)22-17)21(24)23-10-4-5-11-23/h6-9,12-13H,3-5,10-11H2,1-2H3