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

Systemtic Name: 5-[(4-chlorophenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxylate Openeye Name: 5-[(4-chlorophenyl)methyl]-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxylate CAS Name: 5-[(4-chlorophenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxylate IUPAC Name: 5-[(4-chlorophenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxylate Traditional Name: 5-(4-chlorobenzyl)-6-keto-benzo[b][1,4]benzothiazepine-3-carboxylate Formula: C21H13ClNO3S- MolecularWeight: 394.85082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C3=C(S2)C=CC(=C3)C(=O)[O-])CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C3=C(S2)C=CC(=C3)C(=O)[O-])CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H14ClNO3S/c22-15-8-5-13(6-9-15)12-23-17-11-14(21(25)26)7-10-19(17)27-18-4-2-1-3-16(18)20(23)24/h1-11H,12H2,(H,25,26)/p-1