5-[(4-ethoxyphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxylate

Systemtic Name: 5-[(4-ethoxyphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxylate Openeye Name: 5-[(4-ethoxyphenyl)methyl]-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxylate CAS Name: 5-[(4-ethoxyphenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxylate IUPAC Name: 5-[(4-ethoxyphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxylate Traditional Name: 5-(4-ethoxybenzyl)-6-keto-benzo[b][1,4]benzothiazepine-3-carboxylate Formula: C23H18NO4S- MolecularWeight: 404.45832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)[O-])SC4=CC=CC=C4C2=O

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)[O-])SC4=CC=CC=C4C2=O

InChI

InChI=1S/C23H19NO4S/c1-2-28-17-10-7-15(8-11-17)14-24-19-13-16(23(26)27)9-12-21(19)29-20-6-4-3-5-18(20)22(24)25/h3-13H,2,14H2,1H3,(H,26,27)/p-1