propan-2-yl 3-[2-(4-methylquinolin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: propan-2-yl 3-[2-(4-methylquinolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: isopropyl 3-[[2-[(4-methyl-2-quinolyl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(4-methyl-2-quinolinyl)thio]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(4-methyl-2-quinolyl)thio]acetyl]amino]benzoic acid isopropyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NC3=CC=CC(=C3)C(=O)OC(C)C

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NC3=CC=CC(=C3)C(=O)OC(C)C

InChI

InChI=1S/C22H22N2O3S/c1-14(2)27-22(26)16-7-6-8-17(12-16)23-20(25)13-28-21-11-15(3)18-9-4-5-10-19(18)24-21/h4-12,14H,13H2,1-3H3,(H,23,25)