methyl (2R)-3-(1,3-benzothiazol-2-ylsulfanyl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl (2R)-3-(1,3-benzothiazol-2-ylsulfanyl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (2R)-3-(1,3-benzothiazol-2-ylsulfanyl)-2-(benzyloxycarbonylamino)propanoate CAS Name: (2R)-3-(1,3-benzothiazol-2-ylthio)-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2R)-3-(1,3-benzothiazol-2-ylsulfanyl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2R)-3-(1,3-benzothiazol-2-ylthio)-2-(benzyloxycarbonylamino)propionic acid methyl ester Formula: C19H18N2O4S2 MolecularWeight: 402.48722

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSC1=NC2=CC=CC=C2S1)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CSC1=NC2=CC=CC=C2S1)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H18N2O4S2/c1-24-17(22)15(20-18(23)25-11-13-7-3-2-4-8-13)12-26-19-21-14-9-5-6-10-16(14)27-19/h2-10,15H,11-12H2,1H3,(H,20,23)/t15-/m0/s1