[1-[(2-methylquinolin-4-yl)amino]-1-oxidanylidene-propan-2-yl] 2-(1,3-benzothiazol-2-yl)benzoate

Systemtic Name: [1-[(2-methylquinolin-4-yl)amino]-1-oxidanylidene-propan-2-yl] 2-(1,3-benzothiazol-2-yl)benzoate Openeye Name: [1-methyl-2-[(2-methyl-4-quinolyl)amino]-2-oxo-ethyl] 2-(1,3-benzothiazol-2-yl)benzoate CAS Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [1-[(2-methyl-4-quinolinyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-methylquinolin-4-yl)amino]-1-oxopropan-2-yl] 2-(1,3-benzothiazol-2-yl)benzoate Traditional Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [2-keto-1-methyl-2-[(2-methyl-4-quinolyl)amino]ethyl] ester Formula: C27H21N3O3S MolecularWeight: 467.53894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=O)C(C)OC(=O)C3=CC=CC=C3C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)C(C)OC(=O)C3=CC=CC=C3C4=NC5=CC=CC=C5S4

InChI

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