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

Systemtic Name: cyanomethyl 4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]butanoate Openeye Name: cyanomethyl 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 cyanomethyl ester IUPAC Name: cyanomethyl 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 cyanomethyl ester Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCCC(=O)OCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCCC(=O)OCC#N

InChI

InChI=1S/C13H13N3O4S/c14-7-9-20-12(17)6-3-8-15-13-10-4-1-2-5-11(10)21(18,19)16-13/h1-2,4-5H,3,6,8-9H2,(H,15,16)