methyl 4-[2-(6-ethyl-3-methyl-quinolin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(6-ethyl-3-methyl-quinolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(6-ethyl-3-methyl-2-quinolyl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(6-ethyl-3-methyl-2-quinolinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(6-ethyl-3-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(6-ethyl-3-methyl-2-quinolyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=CC(=C(N=C2C=C1)SCC(=O)NC3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CCC1=CC2=CC(=C(N=C2C=C1)SCC(=O)NC3=CC=C(C=C3)C(=O)OC)C

InChI

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