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

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 3-(aminocarbonylamino)-3-thiophen-2-yl-propanoate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 3-(2-thienyl)-3-ureido-propanoate CAS Name: 3-(carbamoylamino)-3-thiophen-2-ylpropanoic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 3-(carbamoylamino)-3-thiophen-2-ylpropanoate Traditional Name: 3-(2-thienyl)-3-ureido-propionic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O4S/c1-12(19(25)21-9-13-5-14(10-21)7-15(6-13)11-21)27-18(24)8-16(23-20(22)26)17-3-2-4-28-17/h2-4,12-16H,5-11H2,1H3,(H3,22,23,26)