(3,3-dimethyl-2-oxidanylidene-butyl) 2-[(2S)-1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(2S)-1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(1S)-2-(4-methoxyanilino)-1-methyl-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]sulfanylbenzoate Traditional Name: 2-[[(1S)-2-keto-1-methyl-2-(p-anisidino)ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C23H27NO5S MolecularWeight: 429.52918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC)SC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)OC)SC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C23H27NO5S/c1-15(21(26)24-16-10-12-17(28-5)13-11-16)30-19-9-7-6-8-18(19)22(27)29-14-20(25)23(2,3)4/h6-13,15H,14H2,1-5H3,(H,24,26)/t15-/m0/s1