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

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]ethyl 2-methylquinoline-4-carboxylate Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethyl 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethyl ester IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethyl 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]ethyl ester Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCCNC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCCNC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H17N3O4S/c1-13-12-16(14-6-2-4-8-17(14)22-13)20(24)27-11-10-21-19-15-7-3-5-9-18(15)28(25,26)23-19/h2-9,12H,10-11H2,1H3,(H,21,23)