[2-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-1,3-thiazol-4-yl]methyl 2-propan-2-ylquinoline-4-carboxylate

Systemtic Name: [2-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-1,3-thiazol-4-yl]methyl 2-propan-2-ylquinoline-4-carboxylate Openeye Name: [2-[2-(2-methylanilino)-2-oxo-ethyl]thiazol-4-yl]methyl 2-isopropylquinoline-4-carboxylate CAS Name: 2-propan-2-yl-4-quinolinecarboxylic acid [2-[2-(2-methylanilino)-2-oxoethyl]-4-thiazolyl]methyl ester IUPAC Name: [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-propan-2-ylquinoline-4-carboxylate Traditional Name: 2-isopropylcinchoninic acid [2-[2-keto-2-(o-toluidino)ethyl]thiazol-4-yl]methyl ester Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)C3=CC(=NC4=CC=CC=C43)C(C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)C3=CC(=NC4=CC=CC=C43)C(C)C

InChI

InChI=1S/C26H25N3O3S/c1-16(2)23-12-20(19-9-5-7-11-22(19)28-23)26(31)32-14-18-15-33-25(27-18)13-24(30)29-21-10-6-4-8-17(21)3/h4-12,15-16H,13-14H2,1-3H3,(H,29,30)