2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl (2S)-2-benzamidopropanoate

Systemtic Name: 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl (2S)-2-benzamidopropanoate Openeye Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl (2S)-2-benzamidopropanoate CAS Name: (2S)-2-benzamidopropanoic acid 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl ester IUPAC Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl (2S)-2-benzamidopropanoate Traditional Name: (2S)-2-benzamidopropionic acid 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)ethyl ester Formula: C19H18N2O6S MolecularWeight: 402.42102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCCN1C(=O)C2=CC=CC=C2S1(=O)=O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)OCCN1C(=O)C2=CC=CC=C2S1(=O)=O)NC(=O)C3=CC=CC=C3

InChI

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