quinolin-8-ylmethyl (2S)-2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propanoate

Systemtic Name: quinolin-8-ylmethyl (2S)-2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propanoate Openeye Name: 8-quinolylmethyl (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoate CAS Name: (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoate Traditional Name: (2S)-2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]propionic acid 8-quinolylmethyl ester Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC2=C1N=CC=C2)NC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C[C@@H](C(=O)OCC1=CC=CC2=C1N=CC=C2)NC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H17N3O4S/c1-13(22-19-16-9-2-3-10-17(16)28(25,26)23-19)20(24)27-12-15-7-4-6-14-8-5-11-21-18(14)15/h2-11,13H,12H2,1H3,(H,22,23)/t13-/m0/s1