[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)COC(=O)CCSC4=CC=CC=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)COC(=O)CCSC4=CC=CC=C4

InChI

InChI=1S/C22H28N2O4S/c25-19(14-28-20(26)6-7-29-18-4-2-1-3-5-18)23-21(27)24-22-11-15-8-16(12-22)10-17(9-15)13-22/h1-5,15-17H,6-14H2,(H2,23,24,25,27)