[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 4-(thiophen-3-ylcarbonylamino)butanoate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 4-(thiophen-3-ylcarbonylamino)butanoate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 4-(thiophene-3-carbonylamino)butanoate CAS Name: 4-[[oxo(3-thiophenyl)methyl]amino]butanoic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 4-(thiophene-3-carbonylamino)butanoate Traditional Name: 4-(3-thenoylamino)butyric acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C22H29NO4S MolecularWeight: 403.53496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)CCCNC(=O)C4=CSC=C4

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)CCCNC(=O)C4=CSC=C4

InChI

InChI=1S/C22H29NO4S/c1-14(20(25)22-10-15-7-16(11-22)9-17(8-15)12-22)27-19(24)3-2-5-23-21(26)18-4-6-28-13-18/h4,6,13-17H,2-3,5,7-12H2,1H3,(H,23,26)