methyl 3-[2-(4,8-dimethylquinolin-2-yl)sulfanylethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-(4,8-dimethylquinolin-2-yl)sulfanylethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[(4,8-dimethyl-2-quinolyl)sulfanyl]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[(4,8-dimethyl-2-quinolinyl)thio]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(4,8-dimethyl-2-quinolyl)thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC3=C(C=CC=C3C)C(=C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC3=C(C=CC=C3C)C(=C2)C

InChI

InChI=1S/C22H22N2O3S/c1-13-8-9-16(22(26)27-4)11-18(13)23-19(25)12-28-20-10-15(3)17-7-5-6-14(2)21(17)24-20/h5-11H,12H2,1-4H3,(H,23,25)