methyl 3-[2-[2-(3,3-dimethyl-2-oxidanylidene-butoxy)carbonylphenyl]sulfanylethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[2-(3,3-dimethyl-2-oxidanylidene-butoxy)carbonylphenyl]sulfanylethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[2-(3,3-dimethyl-2-oxo-butoxy)carbonylphenyl]sulfanylacetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[[2-[(3,3-dimethyl-2-oxobutoxy)-oxomethyl]phenyl]thio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[2-(3,3-dimethyl-2-oxobutoxy)carbonylphenyl]sulfanylacetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[[2-(2-keto-3,3-dimethyl-butoxy)carbonylphenyl]thio]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C21H23NO6S2 MolecularWeight: 449.54042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC2=C(SC=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC2=C(SC=C2)C(=O)OC

InChI

InChI=1S/C21H23NO6S2/c1-21(2,3)16(23)11-28-19(25)13-7-5-6-8-15(13)30-12-17(24)22-14-9-10-29-18(14)20(26)27-4/h5-10H,11-12H2,1-4H3,(H,22,24)