[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(thiophen-2-ylmethylsulfanyl)ethanoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(thiophen-2-ylmethylsulfanyl)ethanoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 2-(2-thienylmethylsulfanyl)acetate CAS Name: 2-(thiophen-2-ylmethylthio)acetic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate Traditional Name: 2-(2-thenylthio)acetic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H26N2O4S2 MolecularWeight: 422.56144

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)COC(=O)CSCC4=CC=CS4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)COC(=O)CSCC4=CC=CS4

InChI

InChI=1S/C20H26N2O4S2/c23-17(10-26-18(24)12-27-11-16-2-1-3-28-16)21-19(25)22-20-7-13-4-14(8-20)6-15(5-13)9-20/h1-3,13-15H,4-12H2,(H2,21,22,23,25)