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

Systemtic Name: propyl (2S)-2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propanoate Openeye Name: propyl (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 propyl ester IUPAC Name: propyl (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 propyl ester Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(C)NC1=NS(=O)(=O)C2=CC=CC=C21

Isomeric SMILES

CCCOC(=O)[C@H](C)NC1=NS(=O)(=O)C2=CC=CC=C21

InChI

InChI=1S/C13H16N2O4S/c1-3-8-19-13(16)9(2)14-12-10-6-4-5-7-11(10)20(17,18)15-12/h4-7,9H,3,8H2,1-2H3,(H,14,15)/t9-/m0/s1