[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methyl 2-acetamido-6-chloranyl-benzoate

Systemtic Name: [1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methyl 2-acetamido-6-chloranyl-benzoate Openeye Name: (1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl 2-acetamido-6-chloro-benzoate CAS Name: 2-acetamido-6-chlorobenzoic acid (1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl ester IUPAC Name: (1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl 2-acetamido-6-chlorobenzoate Traditional Name: 2-acetamido-6-chloro-benzoic acid (1,1,3-triketo-1,2-benzothiazol-2-yl)methyl ester Formula: C17H13ClN2O6S MolecularWeight: 408.81292

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=CC=C1)Cl)C(=O)OCN2C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

CC(=O)NC1=C(C(=CC=C1)Cl)C(=O)OCN2C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C17H13ClN2O6S/c1-10(21)19-13-7-4-6-12(18)15(13)17(23)26-9-20-16(22)11-5-2-3-8-14(11)27(20,24)25/h2-8H,9H2,1H3,(H,19,21)