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

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-(4-methylphenyl)amino]ethyl 4-chloranylbenzoate Openeye Name: 2-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methyl-anilino)ethyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic 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 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid 2-(N-(1,1-diketo-1,2-benzothiazol-3-yl)-4-methyl-anilino)ethyl ester Formula: C23H19ClN2O4S MolecularWeight: 454.92596

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H19ClN2O4S/c1-16-6-12-19(13-7-16)26(14-15-30-23(27)17-8-10-18(24)11-9-17)22-20-4-2-3-5-21(20)31(28,29)25-22/h2-13H,14-15H2,1H3