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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(2S)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(1S)-2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[(2S)-1-(2-furanylmethylamino)-1-oxopropan-2-yl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]sulfanylbenzoate Traditional Name: 2-[[(1S)-2-(2-furfurylamino)-2-keto-1-methyl-ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)SC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CO1)SC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C21H25NO5S/c1-14(19(24)22-12-15-8-7-11-26-15)28-17-10-6-5-9-16(17)20(25)27-13-18(23)21(2,3)4/h5-11,14H,12-13H2,1-4H3,(H,22,24)/t14-/m0/s1