ethyl 4-phenyl-2-(3-quinolin-2-ylsulfanylpropanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-phenyl-2-(3-quinolin-2-ylsulfanylpropanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-phenyl-2-[3-(2-quinolylsulfanyl)propanoylamino]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-3-(2-quinolinylthio)propyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-phenyl-2-(3-quinolin-2-ylsulfanylpropanoylamino)thiophene-3-carboxylate Traditional Name: 4-phenyl-2-[3-(2-quinolylthio)propanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C25H22N2O3S2 MolecularWeight: 462.58378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CCSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CCSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H22N2O3S2/c1-2-30-25(29)23-19(17-8-4-3-5-9-17)16-32-24(23)27-21(28)14-15-31-22-13-12-18-10-6-7-11-20(18)26-22/h3-13,16H,2,14-15H2,1H3,(H,27,28)