(2-azanyl-2-oxidanylidene-ethyl) 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propanoate Openeye Name: (2-amino-2-oxo-ethyl) 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoate CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoate Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]propionic acid (2-amino-2-keto-ethyl) ester Formula: C12H13N3O5S MolecularWeight: 311.31372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N)NC1=NS(=O)(=O)C2=CC=CC=C21

Isomeric SMILES

CC(C(=O)OCC(=O)N)NC1=NS(=O)(=O)C2=CC=CC=C21

InChI

InChI=1S/C12H13N3O5S/c1-7(12(17)20-6-10(13)16)14-11-8-4-2-3-5-9(8)21(18,19)15-11/h2-5,7H,6H2,1H3,(H2,13,16)(H,14,15)