methyl 3-[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-(1-adamantylcarbamoylamino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(1-adamantylcarbamoylamino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-(1-adamantylcarbamoylamino)-2-keto-ethyl]thio]propionic acid methyl ester Formula: C17H26N2O4S MolecularWeight: 354.46434

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2

Isomeric SMILES

COC(=O)CCSCC(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C17H26N2O4S/c1-23-15(21)2-3-24-10-14(20)18-16(22)19-17-7-11-4-12(8-17)6-13(5-11)9-17/h11-13H,2-10H2,1H3,(H2,18,19,20,22)