ethyl 4-(4-chlorophenyl)-2-[2-(4,8-dimethylquinolin-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-2-[2-(4,8-dimethylquinolin-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-2-[[2-[(4,8-dimethyl-2-quinolyl)sulfanyl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-[[2-[(4,8-dimethyl-2-quinolinyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-2-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-[[2-[(4,8-dimethyl-2-quinolyl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C26H23ClN2O3S2 MolecularWeight: 511.05542

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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=C(C=CC=C4C)C(=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C26H23ClN2O3S2/c1-4-32-26(31)23-20(17-8-10-18(27)11-9-17)13-34-25(23)28-21(30)14-33-22-12-16(3)19-7-5-6-15(2)24(19)29-22/h5-13H,4,14H2,1-3H3,(H,28,30)