[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 3-(thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 3-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 3-(thiophene-2-carbonylamino)propanoate CAS Name: 3-[[oxo(thiophen-2-yl)methyl]amino]propanoic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)propanoate Traditional Name: 3-(2-thenoylamino)propionic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)CCNC(=O)C4=CC=CS4

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)CCNC(=O)C4=CC=CS4

InChI

InChI=1S/C21H27NO4S/c1-13(26-18(23)4-5-22-20(25)17-3-2-6-27-17)19(24)21-10-14-7-15(11-21)9-16(8-14)12-21/h2-3,6,13-16H,4-5,7-12H2,1H3,(H,22,25)