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

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propyl 2-methylquinoline-4-carboxylate Openeye Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl ester IUPAC Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid 3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]propyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCCCNC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCCCNC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H19N3O4S/c1-14-13-17(15-7-2-4-9-18(15)23-14)21(25)28-12-6-11-22-20-16-8-3-5-10-19(16)29(26,27)24-20/h2-5,7-10,13H,6,11-12H2,1H3,(H,22,24)