[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Systemtic Name: [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate CAS Name: 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] ester IUPAC Name: [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Traditional Name: 4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] ester Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(O1)C2=CC=CC=C2)OC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

C[C@H](C1=NN=C(O1)C2=CC=CC=C2)OC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C20H17N3O4S/c1-12(18-22-23-19(27-18)13-5-3-2-4-6-13)26-20(25)14-7-8-16-15(11-14)21-17(24)9-10-28-16/h2-8,11-12H,9-10H2,1H3,(H,21,24)/t12-/m1/s1