N-[(4-ethoxy-3-methoxy-phenyl)methyl]-5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-5-ethyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-ethyl-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-ethyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(4-ethoxy-3-methoxy-benzyl)-5-ethyl-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O4S/c1-4-28-20-15-18(11-13-24(20)33-23-9-7-6-8-19(23)26(28)30)25(29)27-16-17-10-12-21(32-5-2)22(14-17)31-3/h6-15H,4-5,16H2,1-3H3,(H,27,29)