ethyl 4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]butanoate

Systemtic Name: ethyl 4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]butanoate Openeye Name: ethyl 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]butanoate CAS Name: 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]butanoate Traditional Name: 4-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]butyric acid ethyl ester Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC1=NS(=O)(=O)C2=CC=CC=C21

Isomeric SMILES

CCOC(=O)CCCNC1=NS(=O)(=O)C2=CC=CC=C21

InChI

InChI=1S/C13H16N2O4S/c1-2-19-12(16)8-5-9-14-13-10-6-3-4-7-11(10)20(17,18)15-13/h3-4,6-7H,2,5,8-9H2,1H3,(H,14,15)