ethyl 4-(4-methylphenyl)-2-(2-quinolin-2-ylsulfanylethanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-methylphenyl)-2-(2-quinolin-2-ylsulfanylethanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(p-tolyl)-2-[[2-(2-quinolylsulfanyl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-methylphenyl)-2-[[1-oxo-2-(2-quinolinylthio)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methylphenyl)-2-[(2-quinolin-2-ylsulfanylacetyl)amino]thiophene-3-carboxylate Traditional Name: 4-(p-tolyl)-2-[[2-(2-quinolylthio)acetyl]amino]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=C(C=C2)C)NC(=O)CSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)CSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H22N2O3S2/c1-3-30-25(29)23-19(17-10-8-16(2)9-11-17)14-32-24(23)27-21(28)15-31-22-13-12-18-6-4-5-7-20(18)26-22/h4-14H,3,15H2,1-2H3,(H,27,28)