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

Systemtic Name: ethyl 4-(4-chlorophenyl)-2-[2-(4-methylphenyl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-2-[[2-(p-tolylsulfanyl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-[[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-[[2-(p-tolylthio)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H20ClNO3S2 MolecularWeight: 445.9821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClNO3S2/c1-3-27-22(26)20-18(15-6-8-16(23)9-7-15)12-29-21(20)24-19(25)13-28-17-10-4-14(2)5-11-17/h4-12H,3,13H2,1-2H3,(H,24,25)