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

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]benzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]benzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C28H30N2O6S MolecularWeight: 522.6126

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)OCC(=O)NC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)OCC(=O)NC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H30N2O6S/c31-25(29-20-5-6-22-23(10-20)36-16-35-22)14-34-27(33)21-3-1-2-4-24(21)37-15-26(32)30-28-11-17-7-18(12-28)9-19(8-17)13-28/h1-6,10,17-19H,7-9,11-16H2,(H,29,31)(H,30,32)