5-ethyl-11,11-bis(oxidanylidene)-3-pyrrolidin-1-ylcarbonyl-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 5-ethyl-11,11-bis(oxidanylidene)-3-pyrrolidin-1-ylcarbonyl-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 5-ethyl-11,11-dioxo-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one CAS Name: 5-ethyl-11,11-dioxo-3-[oxo(1-pyrrolidinyl)methyl]-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 5-ethyl-11,11-dioxo-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-ethyl-11,11-diketo-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C(=O)N3CCCC3)S(=O)(=O)C4=CC=CC=C4C1=O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)C(=O)N3CCCC3)S(=O)(=O)C4=CC=CC=C4C1=O

InChI

InChI=1S/C20H20N2O4S/c1-2-22-16-13-14(19(23)21-11-5-6-12-21)9-10-18(16)27(25,26)17-8-4-3-7-15(17)20(22)24/h3-4,7-10,13H,2,5-6,11-12H2,1H3