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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(1S)-2-[(2-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]sulfanylbenzoate Traditional Name: 2-[[(1S)-2-keto-1-methyl-2-(o-anisylamino)ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C24H29NO5S MolecularWeight: 443.55576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1OC)SC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CC=C1OC)SC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C24H29NO5S/c1-16(22(27)25-14-17-10-6-8-12-19(17)29-5)31-20-13-9-7-11-18(20)23(28)30-15-21(26)24(2,3)4/h6-13,16H,14-15H2,1-5H3,(H,25,27)/t16-/m0/s1