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

Systemtic Name: methyl 5-[(4-methoxyphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxylate Openeye Name: methyl 5-[(4-methoxyphenyl)methyl]-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxylate CAS Name: 5-[(4-methoxyphenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-methoxyphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxylate Traditional Name: 6-keto-5-p-anisyl-benzo[b][1,4]benzothiazepine-3-carboxylic acid methyl ester Formula: C23H19NO4S MolecularWeight: 405.46626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)OC)SC4=CC=CC=C4C2=O

Isomeric SMILES

COC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)OC)SC4=CC=CC=C4C2=O

InChI

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