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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(1S)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[(2S)-1-(1,3-benzodioxol-5-ylamino)-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-ylamino)-1-oxopropan-2-yl]sulfanylbenzoate Traditional Name: 2-[[(1S)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C23H25NO6S MolecularWeight: 443.5127

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=CC=CC=C3C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)OCO2)SC3=CC=CC=C3C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C23H25NO6S/c1-14(21(26)24-15-9-10-17-18(11-15)30-13-29-17)31-19-8-6-5-7-16(19)22(27)28-12-20(25)23(2,3)4/h5-11,14H,12-13H2,1-4H3,(H,24,26)/t14-/m0/s1