[(2R)-1-[(3-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Systemtic Name: [(2R)-1-[(3-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: [(1R)-2-(3-fluoroanilino)-1-methyl-2-oxo-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 [(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 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)-2-(3-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H17FN2O4S MolecularWeight: 388.412683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)F)OC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)F)OC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C19H17FN2O4S/c1-11(18(24)21-14-4-2-3-13(20)10-14)26-19(25)12-5-6-16-15(9-12)22-17(23)7-8-27-16/h2-6,9-11H,7-8H2,1H3,(H,21,24)(H,22,23)/t11-/m1/s1