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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-(2-thiophen-2-ylethanoylamino)benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 4,5-dimethoxy-2-[[2-(2-thienyl)acetyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[(1-oxo-2-thiophen-2-ylethyl)amino]benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate Traditional Name: 4,5-dimethoxy-2-[[2-(2-thienyl)acetyl]amino]benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C27H31NO6S MolecularWeight: 497.60314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)NC(=O)CC5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)NC(=O)CC5=CC=CS5)OC

InChI

InChI=1S/C27H31NO6S/c1-32-22-10-20(21(11-23(22)33-2)28-25(30)9-19-4-3-5-35-19)26(31)34-15-24(29)27-12-16-6-17(13-27)8-18(7-16)14-27/h3-5,10-11,16-18H,6-9,12-15H2,1-2H3,(H,28,30)