N-[(2-ethoxyphenyl)methyl]-5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-[(2-ethoxyphenyl)methyl]-5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[(2-ethoxyphenyl)methyl]-5-ethyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[(2-ethoxyphenyl)methyl]-5-ethyl-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[(2-ethoxyphenyl)methyl]-5-ethyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(2-ethoxybenzyl)-5-ethyl-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H24N2O3S MolecularWeight: 432.53466

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C(=O)NCC3=CC=CC=C3OCC)SC4=CC=CC=C4C1=O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)C(=O)NCC3=CC=CC=C3OCC)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C25H24N2O3S/c1-3-27-20-15-17(24(28)26-16-18-9-5-7-11-21(18)30-4-2)13-14-23(20)31-22-12-8-6-10-19(22)25(27)29/h5-15H,3-4,16H2,1-2H3,(H,26,28)