methyl 2-(1-adamantylcarbamothioylamino)-3-oxidanyl-propanoate

Systemtic Name: methyl 2-(1-adamantylcarbamothioylamino)-3-oxidanyl-propanoate Openeye Name: methyl 2-(1-adamantylcarbamothioylamino)-3-hydroxy-propanoate CAS Name: 2-[[(1-adamantylamino)-sulfanylidenemethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-(1-adamantylcarbamothioylamino)-3-hydroxypropanoate Traditional Name: 2-(1-adamantylthiocarbamoylamino)-3-hydroxy-propionic acid methyl ester Formula: C15H24N2O3S MolecularWeight: 312.42766

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=S)NC12CC3CC(C1)CC(C3)C2

Isomeric SMILES

COC(=O)C(CO)NC(=S)NC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C15H24N2O3S/c1-20-13(19)12(8-18)16-14(21)17-15-5-9-2-10(6-15)4-11(3-9)7-15/h9-12,18H,2-8H2,1H3,(H2,16,17,21)