[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 3-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 3-methyl-2-phenyl-4-quinolinecarboxylic acid [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 3-methyl-2-phenyl-cinchoninic acid [2-keto-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C27H21N3O3S MolecularWeight: 467.53894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)C3=C(C(=NC4=CC=CC=C43)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)C3=C(C(=NC4=CC=CC=C43)C5=CC=CC=C5)C

InChI

InChI=1S/C27H21N3O3S/c1-16-12-13-21-22(14-16)34-27(29-21)30-23(31)15-33-26(32)24-17(2)25(18-8-4-3-5-9-18)28-20-11-7-6-10-19(20)24/h3-14H,15H2,1-2H3,(H,29,30,31)