ethyl 3-[2-(4-methylsulfanylphenyl)ethanoylamino]-5-phenyl-thiophene-2-carboxylate

Systemtic Name: ethyl 3-[2-(4-methylsulfanylphenyl)ethanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-(4-methylsulfanylphenyl)acetyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[2-[4-(methylthio)phenyl]-1-oxoethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-methylsulfanylphenyl)acetyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[2-[4-(methylthio)phenyl]acetyl]amino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C22H21NO3S2 MolecularWeight: 411.53704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CC3=CC=C(C=C3)SC

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C22H21NO3S2/c1-3-26-22(25)21-18(14-19(28-21)16-7-5-4-6-8-16)23-20(24)13-15-9-11-17(27-2)12-10-15/h4-12,14H,3,13H2,1-2H3,(H,23,24)