methyl 2-[[3-(methylsulfanylmethyl)-2-phenyl-quinolin-4-yl]carbonylamino]-2-phenyl-ethanoate

Systemtic Name: methyl 2-[[3-(methylsulfanylmethyl)-2-phenyl-quinolin-4-yl]carbonylamino]-2-phenyl-ethanoate Openeye Name: methyl 2-[[3-(methylsulfanylmethyl)-2-phenyl-quinoline-4-carbonyl]amino]-2-phenyl-acetate CAS Name: 2-[[[3-[(methylthio)methyl]-2-phenyl-4-quinolinyl]-oxomethyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[[3-(methylsulfanylmethyl)-2-phenylquinoline-4-carbonyl]amino]-2-phenylacetate Traditional Name: 2-[[3-[(methylthio)methyl]-2-phenyl-quinoline-4-carbonyl]amino]-2-phenyl-acetic acid methyl ester Formula: C27H24N2O3S MolecularWeight: 456.55606

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CSC

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CSC

InChI

InChI=1S/C27H24N2O3S/c1-32-27(31)25(19-13-7-4-8-14-19)29-26(30)23-20-15-9-10-16-22(20)28-24(21(23)17-33-2)18-11-5-3-6-12-18/h3-16,25H,17H2,1-2H3,(H,29,30)