methyl 4-methyl-3-(2-quinolin-2-ylsulfanylethanoylamino)benzoate

Systemtic Name: methyl 4-methyl-3-(2-quinolin-2-ylsulfanylethanoylamino)benzoate Openeye Name: methyl 4-methyl-3-[[2-(2-quinolylsulfanyl)acetyl]amino]benzoate CAS Name: 4-methyl-3-[[1-oxo-2-(2-quinolinylthio)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[(2-quinolin-2-ylsulfanylacetyl)amino]benzoate Traditional Name: 4-methyl-3-[[2-(2-quinolylthio)acetyl]amino]benzoic acid methyl ester Formula: C20H18N2O3S MolecularWeight: 366.43352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O3S/c1-13-7-8-15(20(24)25-2)11-17(13)21-18(23)12-26-19-10-9-14-5-3-4-6-16(14)22-19/h3-11H,12H2,1-2H3,(H,21,23)