ethyl 2-[2-(4-tert-butylphenyl)sulfanylethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-tert-butylphenyl)sulfanylethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(4-tert-butylphenyl)thio]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[(4-tert-butylphenyl)thio]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H27NO3S2 MolecularWeight: 453.61678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CSC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CSC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C25H27NO3S2/c1-5-29-24(28)22-20(17-9-7-6-8-10-17)15-31-23(22)26-21(27)16-30-19-13-11-18(12-14-19)25(2,3)4/h6-15H,5,16H2,1-4H3,(H,26,27)