(2-methylquinolin-8-yl) 2-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (2-methylquinolin-8-yl) 2-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (2-methyl-8-quinolyl) 2-[2-(3,4-dimethoxyanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]thio]benzoic acid (2-methyl-8-quinolinyl) ester IUPAC Name: (2-methylquinolin-8-yl) 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(3,4-dimethoxyanilino)-2-keto-ethyl]thio]benzoic acid (2-methyl-8-quinolyl) ester Formula: C27H24N2O5S MolecularWeight: 488.55486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC(=O)C3=CC=CC=C3SCC(=O)NC4=CC(=C(C=C4)OC)OC)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC(=O)C3=CC=CC=C3SCC(=O)NC4=CC(=C(C=C4)OC)OC)C=C1

InChI

InChI=1S/C27H24N2O5S/c1-17-11-12-18-7-6-9-22(26(18)28-17)34-27(31)20-8-4-5-10-24(20)35-16-25(30)29-19-13-14-21(32-2)23(15-19)33-3/h4-15H,16H2,1-3H3,(H,29,30)