ethyl 4-(4-tert-butylphenyl)-2-[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-tert-butylphenyl)-2-[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-tert-butylphenyl)-2-[(2-phenyl-2-phenylsulfanyl-acetyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-tert-butylphenyl)-2-[[1-oxo-2-phenyl-2-(phenylthio)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-tert-butylphenyl)-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-tert-butylphenyl)-2-[[2-phenyl-2-(phenylthio)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C31H31NO3S2 MolecularWeight: 529.71274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C(C)(C)C)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C(C)(C)C)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C31H31NO3S2/c1-5-35-30(34)26-25(21-16-18-23(19-17-21)31(2,3)4)20-36-29(26)32-28(33)27(22-12-8-6-9-13-22)37-24-14-10-7-11-15-24/h6-20,27H,5H2,1-4H3,(H,32,33)