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

Systemtic Name: 2-chloranylprop-2-enyl 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propanoate Openeye Name: 2-chloroallyl 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 2-chloroprop-2-enyl ester IUPAC Name: 2-chloroprop-2-enyl 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-chloroallyl ester Formula: C13H13ClN2O4S MolecularWeight: 328.77132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClN2O4S/c1-9(14)8-20-12(17)6-7-15-13-10-4-2-3-5-11(10)21(18,19)16-13/h2-5H,1,6-8H2,(H,15,16)