methyl 3-[[2-(5,8-dimethoxy-4-methyl-quinolin-2-yl)sulfanylethanoylamino]methyl]benzoate

Systemtic Name: methyl 3-[[2-(5,8-dimethoxy-4-methyl-quinolin-2-yl)sulfanylethanoylamino]methyl]benzoate Openeye Name: methyl 3-[[[2-[(5,8-dimethoxy-4-methyl-2-quinolyl)sulfanyl]acetyl]amino]methyl]benzoate CAS Name: 3-[[[2-[(5,8-dimethoxy-4-methyl-2-quinolinyl)thio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[[2-(5,8-dimethoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]methyl]benzoate Traditional Name: 3-[[[2-[(5,8-dimethoxy-4-methyl-2-quinolyl)thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C23H24N2O5S MolecularWeight: 440.51206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C(C=CC(=C12)OC)OC)SCC(=O)NCC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=NC2=C(C=CC(=C12)OC)OC)SCC(=O)NCC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C23H24N2O5S/c1-14-10-20(25-22-18(29-3)9-8-17(28-2)21(14)22)31-13-19(26)24-12-15-6-5-7-16(11-15)23(27)30-4/h5-11H,12-13H2,1-4H3,(H,24,26)