6-(1,3-benzodioxol-5-yl)-N-cyclopentyl-11-methyl-9-oxidanylidene-6,7-dihydropyrido[2,1-d][1,5]benzothiazepine-8-carboxamide

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-N-cyclopentyl-11-methyl-9-oxidanylidene-6,7-dihydropyrido[2,1-d][1,5]benzothiazepine-8-carboxamide Openeye Name: 6-(1,3-benzodioxol-5-yl)-N-cyclopentyl-11-methyl-9-oxo-6,7-dihydropyrido[2,1-d][1,5]benzothiazepine-8-carboxamide CAS Name: 6-(1,3-benzodioxol-5-yl)-N-cyclopentyl-11-methyl-9-oxo-6,7-dihydropyrido[2,1-d][1,5]benzothiazepine-8-carboxamide IUPAC Name: 6-(1,3-benzodioxol-5-yl)-N-cyclopentyl-11-methyl-9-oxo-6,7-dihydropyrido[2,1-d][1,5]benzothiazepine-8-carboxamide Traditional Name: 6-(1,3-benzodioxol-5-yl)-N-cyclopentyl-9-keto-11-methyl-6,7-dihydropyrido[2,1-d][1,5]benzothiazepine-8-carboxamide Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C2N1C3=CC=CC=C3SC(C2)C4=CC5=C(C=C4)OCO5)C(=O)NC6CCCC6

Isomeric SMILES

CC1=CC(=O)C(=C2N1C3=CC=CC=C3SC(C2)C4=CC5=C(C=C4)OCO5)C(=O)NC6CCCC6

InChI

InChI=1S/C27H26N2O4S/c1-16-12-21(30)26(27(31)28-18-6-2-3-7-18)20-14-25(17-10-11-22-23(13-17)33-15-32-22)34-24-9-5-4-8-19(24)29(16)20/h4-5,8-13,18,25H,2-3,6-7,14-15H2,1H3,(H,28,31)