methyl 5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxylate

Systemtic Name: methyl 5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxylate Openeye Name: methyl 5-[(5-methyl-2-phenyl-oxazol-4-yl)methyl]-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxylate CAS Name: 5-[(5-methyl-2-phenyl-4-oxazolyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxylic acid methyl ester IUPAC Name: methyl 5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxylate Traditional Name: 6-keto-5-[(5-methyl-2-phenyl-oxazol-4-yl)methyl]benzo[b][1,4]benzothiazepine-3-carboxylic acid methyl ester Formula: C26H20N2O4S MolecularWeight: 456.513

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)CN3C4=C(C=CC(=C4)C(=O)OC)SC5=CC=CC=C5C3=O

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)CN3C4=C(C=CC(=C4)C(=O)OC)SC5=CC=CC=C5C3=O

InChI

InChI=1S/C26H20N2O4S/c1-16-20(27-24(32-16)17-8-4-3-5-9-17)15-28-21-14-18(26(30)31-2)12-13-23(21)33-22-11-7-6-10-19(22)25(28)29/h3-14H,15H2,1-2H3