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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(2S)-1-[(2-methylsulfanylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(1S)-1-methyl-2-(2-methylsulfanylanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[(2S)-1-[2-(methylthio)anilino]-1-oxopropan-2-yl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(2S)-1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]sulfanylbenzoate Traditional Name: 2-[[(1S)-2-keto-1-methyl-2-[2-(methylthio)anilino]ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C23H27NO4S2 MolecularWeight: 445.59478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC)SC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1SC)SC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C23H27NO4S2/c1-15(21(26)24-17-11-7-9-13-19(17)29-5)30-18-12-8-6-10-16(18)22(27)28-14-20(25)23(2,3)4/h6-13,15H,14H2,1-5H3,(H,24,26)/t15-/m0/s1