ethyl 4-(2-quinolin-2-ylsulfanylpropanoylamino)benzoate

Systemtic Name: ethyl 4-(2-quinolin-2-ylsulfanylpropanoylamino)benzoate Openeye Name: ethyl 4-[2-(2-quinolylsulfanyl)propanoylamino]benzoate CAS Name: 4-[[1-oxo-2-(2-quinolinylthio)propyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(2-quinolin-2-ylsulfanylpropanoylamino)benzoate Traditional Name: 4-[2-(2-quinolylthio)propanoylamino]benzoic acid ethyl ester Formula: C21H20N2O3S MolecularWeight: 380.4601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H20N2O3S/c1-3-26-21(25)16-8-11-17(12-9-16)22-20(24)14(2)27-19-13-10-15-6-4-5-7-18(15)23-19/h4-14H,3H2,1-2H3,(H,22,24)