methyl 5-[2-[2-(3,3-dimethyl-2-oxidanylidene-butoxy)carbonylphenyl]sulfanylethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[2-[2-(3,3-dimethyl-2-oxidanylidene-butoxy)carbonylphenyl]sulfanylethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-[2-(3,3-dimethyl-2-oxo-butoxy)carbonylphenyl]sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[[2-[(3,3-dimethyl-2-oxobutoxy)-oxomethyl]phenyl]thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-[2-(3,3-dimethyl-2-oxobutoxy)carbonylphenyl]sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[[2-(2-keto-3,3-dimethyl-butoxy)carbonylphenyl]thio]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C23H27NO6S MolecularWeight: 445.52858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C23H27NO6S/c1-13-19(22(28)29-6)14(2)24-20(13)16(25)12-31-17-10-8-7-9-15(17)21(27)30-11-18(26)23(3,4)5/h7-10,24H,11-12H2,1-6H3