[2-(1-adamantyl)-2-oxidanylidene-ethyl] 3,4-dimethoxy-5-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3,4-dimethoxy-5-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3,4-dimethoxy-5-(thiophene-2-carbonylamino)benzoate CAS Name: 3,4-dimethoxy-5-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3,4-dimethoxy-5-(thiophene-2-carbonylamino)benzoate Traditional Name: 3,4-dimethoxy-5-(2-thenoylamino)benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C26H29NO6S MolecularWeight: 483.57656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)NC(=O)C2=CC=CS2)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)NC(=O)C2=CC=CS2)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H29NO6S/c1-31-20-10-18(9-19(23(20)32-2)27-24(29)21-4-3-5-34-21)25(30)33-14-22(28)26-11-15-6-16(12-26)8-17(7-15)13-26/h3-5,9-10,15-17H,6-8,11-14H2,1-2H3,(H,27,29)