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

Systemtic Name: ethyl 5-phenyl-3-[2-(phenylmethylsulfanyl)ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 3-[(2-benzylsulfanylacetyl)amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[1-oxo-2-(phenylmethylthio)ethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-benzylsulfanylacetyl)amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[2-(benzylthio)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)CSCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CSCC3=CC=CC=C3

InChI

InChI=1S/C22H21NO3S2/c1-2-26-22(25)21-18(13-19(28-21)17-11-7-4-8-12-17)23-20(24)15-27-14-16-9-5-3-6-10-16/h3-13H,2,14-15H2,1H3,(H,23,24)