[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[methyl(thiophen-2-ylcarbonyl)amino]benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[methyl(thiophen-2-ylcarbonyl)amino]benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-[methyl(thiophene-2-carbonyl)amino]benzoate CAS Name: 2-[methyl-[oxo(thiophen-2-yl)methyl]amino]benzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-[methyl(thiophene-2-carbonyl)amino]benzoate Traditional Name: 2-[methyl(2-thenoyl)amino]benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)C(=O)C5=CC=CS5

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)C(=O)C5=CC=CS5

InChI

InChI=1S/C25H28N2O4S/c1-27(23(29)21-7-4-8-32-21)20-6-3-2-5-19(20)24(30)31-15-22(28)26-25-12-16-9-17(13-25)11-18(10-16)14-25/h2-8,16-18H,9-15H2,1H3,(H,26,28)