ethyl 4-(3-quinolin-2-ylsulfanylpropanoylamino)benzoate

Systemtic Name: ethyl 4-(3-quinolin-2-ylsulfanylpropanoylamino)benzoate Openeye Name: ethyl 4-[3-(2-quinolylsulfanyl)propanoylamino]benzoate CAS Name: 4-[[1-oxo-3-(2-quinolinylthio)propyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(3-quinolin-2-ylsulfanylpropanoylamino)benzoate Traditional Name: 4-[3-(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)CCSC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCSC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H20N2O3S/c1-2-26-21(25)16-7-10-17(11-8-16)22-19(24)13-14-27-20-12-9-15-5-3-4-6-18(15)23-20/h3-12H,2,13-14H2,1H3,(H,22,24)