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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate CAS Name: 4,5-dimethoxy-2-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate Traditional Name: 4,5-dimethoxy-2-(2-thenoylamino)benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C26H30N2O6S MolecularWeight: 498.5912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)NC(=O)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)NC(=O)C5=CC=CS5)OC

InChI

InChI=1S/C26H30N2O6S/c1-32-20-9-18(19(10-21(20)33-2)27-24(30)22-4-3-5-35-22)25(31)34-14-23(29)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,27,30)(H,28,29)