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

Systemtic Name: ethyl 4-phenyl-2-[2-(phenylmethylsulfanyl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-benzylsulfanylacetyl)amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(phenylmethylthio)ethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-benzylsulfanylacetyl)amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(benzylthio)acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H21NO3S2 MolecularWeight: 411.53704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CSCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CSCC3=CC=CC=C3

InChI

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