2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl ester IUPAC Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)ethyl ester Formula: C17H14ClNO5S2 MolecularWeight: 411.87976

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)OCCN2C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)OCCN2C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C17H14ClNO5S2/c1-25-11-6-7-14(18)13(10-11)17(21)24-9-8-19-16(20)12-4-2-3-5-15(12)26(19,22)23/h2-7,10H,8-9H2,1H3