methyl (2S)-2-[[(2S)-3-phenyl-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanoyl]amino]propanoate

Systemtic Name: methyl (2S)-2-[[(2S)-3-phenyl-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanoyl]amino]propanoate Openeye Name: methyl (2S)-2-[[(2S)-3-phenyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoyl]amino]propanoate CAS Name: (2S)-2-[[(2S)-1-oxo-3-phenyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-3-phenyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoyl]amino]propanoate Traditional Name: (2S)-2-[[(2S)-3-phenyl-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)propanoyl]amino]propionic acid methyl ester Formula: C20H20N2O6S MolecularWeight: 416.4476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C(CC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

C[C@@H](C(=O)OC)NC(=O)[C@H](CC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C20H20N2O6S/c1-13(20(25)28-2)21-18(23)16(12-14-8-4-3-5-9-14)22-19(24)15-10-6-7-11-17(15)29(22,26)27/h3-11,13,16H,12H2,1-2H3,(H,21,23)/t13-,16-/m0/s1