ethyl 4,5-dimethyl-2-(3-quinolin-2-ylsulfanylpropanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-(3-quinolin-2-ylsulfanylpropanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[3-(2-quinolylsulfanyl)propanoylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-3-(2-quinolinylthio)propyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-(3-quinolin-2-ylsulfanylpropanoylamino)thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[3-(2-quinolylthio)propanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCSC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCSC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H22N2O3S2/c1-4-26-21(25)19-13(2)14(3)28-20(19)23-17(24)11-12-27-18-10-9-15-7-5-6-8-16(15)22-18/h5-10H,4,11-12H2,1-3H3,(H,23,24)