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

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propanoate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoate CAS Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoate Traditional Name: 3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]propionic acid (2-amino-2-keto-1-methyl-ethyl) ester Formula: C13H15N3O5S MolecularWeight: 325.3403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)CCNC1=NS(=O)(=O)C2=CC=CC=C21

Isomeric SMILES

CC(C(=O)N)OC(=O)CCNC1=NS(=O)(=O)C2=CC=CC=C21

InChI

InChI=1S/C13H15N3O5S/c1-8(12(14)18)21-11(17)6-7-15-13-9-4-2-3-5-10(9)22(19,20)16-13/h2-5,8H,6-7H2,1H3,(H2,14,18)(H,15,16)