2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-(4-methylphenyl)amino]ethyl 3,4-bis(chloranyl)benzoate

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-(4-methylphenyl)amino]ethyl 3,4-bis(chloranyl)benzoate Openeye Name: 2-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methyl-anilino)ethyl 3,4-dichlorobenzoate CAS Name: 3,4-dichlorobenzoic acid 2-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methylanilino)ethyl ester IUPAC Name: 2-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methylanilino)ethyl 3,4-dichlorobenzoate Traditional Name: 3,4-dichlorobenzoic acid 2-(N-(1,1-diketo-1,2-benzothiazol-3-yl)-4-methyl-anilino)ethyl ester Formula: C23H18Cl2N2O4S MolecularWeight: 489.37102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCOC(=O)C2=CC(=C(C=C2)Cl)Cl)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)N(CCOC(=O)C2=CC(=C(C=C2)Cl)Cl)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C23H18Cl2N2O4S/c1-15-6-9-17(10-7-15)27(22-18-4-2-3-5-21(18)32(29,30)26-22)12-13-31-23(28)16-8-11-19(24)20(25)14-16/h2-11,14H,12-13H2,1H3