N-(5-cyclopentyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)-3,4,5-trimethoxy-benzamide

Systemtic Name: N-(5-cyclopentyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)-3,4,5-trimethoxy-benzamide Openeye Name: N-(5-cyclopentyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)-3,4,5-trimethoxy-benzamide CAS Name: N-(5-cyclopentyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)-3,4,5-trimethoxybenzamide IUPAC Name: N-(5-cyclopentyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)-3,4,5-trimethoxybenzamide Traditional Name: N-(5-cyclopentyl-6-keto-benzo[b][1,4]benzothiazepin-3-yl)-3,4,5-trimethoxy-benzamide Formula: C28H28N2O5S MolecularWeight: 504.59732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3C5CCCC5

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3C5CCCC5

InChI

InChI=1S/C28H28N2O5S/c1-33-22-14-17(15-23(34-2)26(22)35-3)27(31)29-18-12-13-25-21(16-18)30(19-8-4-5-9-19)28(32)20-10-6-7-11-24(20)36-25/h6-7,10-16,19H,4-5,8-9H2,1-3H3,(H,29,31)