(phenylmethyl) (2S)-2-[2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanoylamino]propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanoylamino]propanoate Openeye Name: benzyl (2S)-2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]propanoate CAS Name: (2S)-2-[[1-oxo-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]propanoate Traditional Name: (2S)-2-[[2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetyl]amino]propionic acid benzyl ester Formula: C19H18N2O6S MolecularWeight: 402.42102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1)NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C19H18N2O6S/c1-13(19(24)27-12-14-7-3-2-4-8-14)20-17(22)11-21-18(23)15-9-5-6-10-16(15)28(21,25)26/h2-10,13H,11-12H2,1H3,(H,20,22)/t13-/m0/s1