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

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-(thiophen-2-ylmethylsulfanyl)ethanoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 2-(2-thienylmethylsulfanyl)acetate CAS Name: 2-(thiophen-2-ylmethylthio)acetic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate Traditional Name: 2-(2-thenylthio)acetic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C20H27NO3S2 MolecularWeight: 393.56328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO3S2/c22-18(10-24-19(23)12-25-11-17-2-1-3-26-17)21-13-20-7-14-4-15(8-20)6-16(5-14)9-20/h1-3,14-16H,4-13H2,(H,21,22)