(3,3-dimethyl-2-oxidanylidene-butyl) 2-[(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl]sulfanylbenzoate CAS Name: 2-[[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]sulfanylbenzoate Traditional Name: 2-[[(1S)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C24H27NO4S MolecularWeight: 425.54048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SC(C2=CC=CC=C2)C(=O)NC3CC3

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1S[C@@H](C2=CC=CC=C2)C(=O)NC3CC3

InChI

InChI=1S/C24H27NO4S/c1-24(2,3)20(26)15-29-23(28)18-11-7-8-12-19(18)30-21(16-9-5-4-6-10-16)22(27)25-17-13-14-17/h4-12,17,21H,13-15H2,1-3H3,(H,25,27)/t21-/m0/s1