3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propyl 2-chloranylethanoate

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propyl 2-chloranylethanoate Openeye Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl 2-chloroacetate CAS Name: 2-chloroacetic acid 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl ester IUPAC Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl 2-chloroacetate Traditional Name: 2-chloroacetic acid 3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]propyl ester Formula: C12H13ClN2O4S MolecularWeight: 316.76062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCCOC(=O)CCl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCCOC(=O)CCl

InChI

InChI=1S/C12H13ClN2O4S/c13-8-11(16)19-7-3-6-14-12-9-4-1-2-5-10(9)20(17,18)15-12/h1-2,4-5H,3,6-8H2,(H,14,15)