ethyl 2-[2-(4-tert-butylphenyl)sulfanylethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-tert-butylphenyl)sulfanylethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(4-tert-butylphenyl)thio]-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-[(4-tert-butylphenyl)thio]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H27NO3S2 MolecularWeight: 405.57398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H27NO3S2/c1-7-25-20(24)18-13(2)14(3)27-19(18)22-17(23)12-26-16-10-8-15(9-11-16)21(4,5)6/h8-11H,7,12H2,1-6H3,(H,22,23)