(3,3-dimethyl-2-oxidanylidene-butyl) 2-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(1S)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]sulfanylbenzoate Traditional Name: 2-[[(1S)-2-keto-1-methyl-2-(piperonylamino)ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C24H27NO6S MolecularWeight: 457.53928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=CC=CC=C3C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=CC=CC=C3C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C24H27NO6S/c1-15(22(27)25-12-16-9-10-18-19(11-16)31-14-30-18)32-20-8-6-5-7-17(20)23(28)29-13-21(26)24(2,3)4/h5-11,15H,12-14H2,1-4H3,(H,25,27)/t15-/m0/s1