methyl 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-5-chloranyl-benzoate

Systemtic Name: methyl 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-5-chloranyl-benzoate Openeye Name: methyl 5-chloro-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoate CAS Name: 5-chloro-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoic acid methyl ester IUPAC Name: methyl 5-chloro-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoate Traditional Name: 5-chloro-2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]benzoic acid methyl ester Formula: C15H11ClN2O4S MolecularWeight: 350.77684

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)Cl)NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)Cl)NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C15H11ClN2O4S/c1-22-15(19)11-8-9(16)6-7-12(11)17-14-10-4-2-3-5-13(10)23(20,21)18-14/h2-8H,1H3,(H,17,18)