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

Systemtic Name: ethyl 3-[[2-(5,8-dimethoxy-4-methyl-quinolin-2-yl)sulfanylethanoylamino]methyl]-4-methyl-benzoate Openeye Name: ethyl 3-[[[2-[(5,8-dimethoxy-4-methyl-2-quinolyl)sulfanyl]acetyl]amino]methyl]-4-methyl-benzoate CAS Name: 3-[[[2-[(5,8-dimethoxy-4-methyl-2-quinolinyl)thio]-1-oxoethyl]amino]methyl]-4-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[[[2-(5,8-dimethoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]methyl]-4-methylbenzoate Traditional Name: 3-[[[2-[(5,8-dimethoxy-4-methyl-2-quinolyl)thio]acetyl]amino]methyl]-4-methyl-benzoic acid ethyl ester Formula: C25H28N2O5S MolecularWeight: 468.56522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)C)CNC(=O)CSC2=NC3=C(C=CC(=C3C(=C2)C)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)C)CNC(=O)CSC2=NC3=C(C=CC(=C3C(=C2)C)OC)OC

InChI

InChI=1S/C25H28N2O5S/c1-6-32-25(29)17-8-7-15(2)18(12-17)13-26-21(28)14-33-22-11-16(3)23-19(30-4)9-10-20(31-5)24(23)27-22/h7-12H,6,13-14H2,1-5H3,(H,26,28)