(2-cyclohexyl-2-oxidanylidene-ethyl) 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (2-cyclohexyl-2-oxidanylidene-ethyl) 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (2-cyclohexyl-2-oxo-ethyl) 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]benzoic acid (2-cyclohexyl-2-oxoethyl) ester IUPAC Name: (2-cyclohexyl-2-oxoethyl) 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]benzoic acid (2-cyclohexyl-2-keto-ethyl) ester Formula: C24H25NO6S MolecularWeight: 455.5234

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(CC1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H25NO6S/c26-19(16-6-2-1-3-7-16)13-29-24(28)18-8-4-5-9-22(18)32-14-23(27)25-17-10-11-20-21(12-17)31-15-30-20/h4-5,8-12,16H,1-3,6-7,13-15H2,(H,25,27)