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

Systemtic Name: N-[(2,5-dimethoxyphenyl)methyl]-5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[(2,5-dimethoxyphenyl)methyl]-5-ethyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[(2,5-dimethoxyphenyl)methyl]-5-ethyl-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[(2,5-dimethoxyphenyl)methyl]-5-ethyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(2,5-dimethoxybenzyl)-5-ethyl-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C(=O)NCC3=C(C=CC(=C3)OC)OC)SC4=CC=CC=C4C1=O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)C(=O)NCC3=C(C=CC(=C3)OC)OC)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C25H24N2O4S/c1-4-27-20-14-16(9-12-23(20)32-22-8-6-5-7-19(22)25(27)29)24(28)26-15-17-13-18(30-2)10-11-21(17)31-3/h5-14H,4,15H2,1-3H3,(H,26,28)