methyl 2-[3-(3-chlorophenyl)propanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[3-(3-chlorophenyl)propanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[3-(3-chlorophenyl)propanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[3-(3-chlorophenyl)-1-oxopropyl]amino]-4-(4-ethylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(3-chlorophenyl)propanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate Traditional Name: 2-[3-(3-chlorophenyl)propanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylic acid methyl ester Formula: C23H22ClNO3S MolecularWeight: 427.94368

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CCC3=CC(=CC=C3)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C23H22ClNO3S/c1-3-15-7-10-17(11-8-15)19-14-29-22(21(19)23(27)28-2)25-20(26)12-9-16-5-4-6-18(24)13-16/h4-8,10-11,13-14H,3,9,12H2,1-2H3,(H,25,26)