2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-(4-chlorophenyl)amino]ethyl 2-methylquinoline-4-carboxylate

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-(4-chlorophenyl)amino]ethyl 2-methylquinoline-4-carboxylate Openeye Name: 2-(4-chloro-N-(1,1-dioxo-1,2-benzothiazol-3-yl)anilino)ethyl 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid 2-(4-chloro-N-(1,1-dioxo-1,2-benzothiazol-3-yl)anilino)ethyl ester IUPAC Name: 2-(4-chloro-N-(1,1-dioxo-1,2-benzothiazol-3-yl)anilino)ethyl 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid 2-(4-chloro-N-(1,1-diketo-1,2-benzothiazol-3-yl)anilino)ethyl ester Formula: C26H20ClN3O4S MolecularWeight: 505.9727

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCCN(C3=CC=C(C=C3)Cl)C4=NS(=O)(=O)C5=CC=CC=C54

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCCN(C3=CC=C(C=C3)Cl)C4=NS(=O)(=O)C5=CC=CC=C54

InChI

InChI=1S/C26H20ClN3O4S/c1-17-16-22(20-6-2-4-8-23(20)28-17)26(31)34-15-14-30(19-12-10-18(27)11-13-19)25-21-7-3-5-9-24(21)35(32,33)29-25/h2-13,16H,14-15H2,1H3