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

Systemtic Name: methyl 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C11H12N2O4S MolecularWeight: 268.28898

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC1=NS(=O)(=O)C2=CC=CC=C21

Isomeric SMILES

COC(=O)CCNC1=NS(=O)(=O)C2=CC=CC=C21

InChI

InChI=1S/C11H12N2O4S/c1-17-10(14)6-7-12-11-8-4-2-3-5-9(8)18(15,16)13-11/h2-5H,6-7H2,1H3,(H,12,13)