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

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-phenyl-amino]ethyl 2-methylquinoline-4-carboxylate Openeye Name: 2-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)anilino)ethyl 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid 2-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)anilino)ethyl ester IUPAC Name: 2-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)anilino)ethyl 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid 2-(N-(1,1-diketo-1,2-benzothiazol-3-yl)anilino)ethyl ester Formula: C26H21N3O4S MolecularWeight: 471.52764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21N3O4S/c1-18-17-22(20-11-5-7-13-23(20)27-18)26(30)33-16-15-29(19-9-3-2-4-10-19)25-21-12-6-8-14-24(21)34(31,32)28-25/h2-14,17H,15-16H2,1H3