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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(2S)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(1S)-2-(4-acetylanilino)-1-methyl-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]sulfanylbenzoate Traditional Name: 2-[[(1S)-2-(4-acetylanilino)-2-keto-1-methyl-ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C24H27NO5S MolecularWeight: 441.53988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27NO5S/c1-15(26)17-10-12-18(13-11-17)25-22(28)16(2)31-20-9-7-6-8-19(20)23(29)30-14-21(27)24(3,4)5/h6-13,16H,14H2,1-5H3,(H,25,28)/t16-/m0/s1