N-cyclopentyl-5-ethyl-6,11,11-tris(oxidanylidene)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-cyclopentyl-5-ethyl-6,11,11-tris(oxidanylidene)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-cyclopentyl-5-ethyl-6,11,11-trioxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-cyclopentyl-5-ethyl-6,11,11-trioxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-cyclopentyl-5-ethyl-6,11,11-trioxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-cyclopentyl-5-ethyl-6,11,11-triketo-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C(=O)NC3CCCC3)S(=O)(=O)C4=CC=CC=C4C1=O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)C(=O)NC3CCCC3)S(=O)(=O)C4=CC=CC=C4C1=O

InChI

InChI=1S/C21H22N2O4S/c1-2-23-17-13-14(20(24)22-15-7-3-4-8-15)11-12-19(17)28(26,27)18-10-6-5-9-16(18)21(23)25/h5-6,9-13,15H,2-4,7-8H2,1H3,(H,22,24)