[2-[(6-fluoranyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-methylquinoline-4-carboxylate

Systemtic Name: [2-[(6-fluoranyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-methylquinoline-4-carboxylate Openeye Name: [2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C20H14FN3O3S MolecularWeight: 395.406863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NC3=NC4=C(S3)C=C(C=C4)F

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NC3=NC4=C(S3)C=C(C=C4)F

InChI

InChI=1S/C20H14FN3O3S/c1-11-8-14(13-4-2-3-5-15(13)22-11)19(26)27-10-18(25)24-20-23-16-7-6-12(21)9-17(16)28-20/h2-9H,10H2,1H3,(H,23,24,25)