propyl 4-[2-(4-methylquinolin-2-yl)sulfanylethanoylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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