[(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Openeye Name: [(1S)-2-anilino-1-methyl-2-oxo-ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate CAS Name: 3-(1,3-benzothiazol-2-ylthio)propanoic acid [(2S)-1-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-anilino-1-oxopropan-2-yl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-ylthio)propionic acid [(1S)-2-anilino-2-keto-1-methyl-ethyl] ester Formula: C19H18N2O3S2 MolecularWeight: 386.48782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)OC(=O)CCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1)OC(=O)CCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H18N2O3S2/c1-13(18(23)20-14-7-3-2-4-8-14)24-17(22)11-12-25-19-21-15-9-5-6-10-16(15)26-19/h2-10,13H,11-12H2,1H3,(H,20,23)/t13-/m0/s1