ethyl 4-(4-chlorophenyl)-2-[2-(4-methylquinolin-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-2-[2-(4-methylquinolin-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-2-[[2-[(4-methyl-2-quinolyl)sulfanyl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-[[2-[(4-methyl-2-quinolinyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-2-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-[[2-[(4-methyl-2-quinolyl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C25H21ClN2O3S2 MolecularWeight: 497.02884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21ClN2O3S2/c1-3-31-25(30)23-19(16-8-10-17(26)11-9-16)13-33-24(23)28-21(29)14-32-22-12-15(2)18-6-4-5-7-20(18)27-22/h4-13H,3,14H2,1-2H3,(H,28,29)