[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate

Systemtic Name: [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate Openeye Name: [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxo-ethyl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate CAS Name: 2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]acetic acid [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate Traditional Name: 2-(pyrrolidine-1-carbothioylthio)acetic acid [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-keto-ethyl] ester Formula: C21H32N2O3S2 MolecularWeight: 424.62038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)CSC(=S)N4CCCC4

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)CSC(=S)N4CCCC4

InChI

InChI=1S/C21H32N2O3S2/c1-14(21-9-15-6-16(10-21)8-17(7-15)11-21)22-18(24)12-26-19(25)13-28-20(27)23-4-2-3-5-23/h14-17H,2-13H2,1H3,(H,22,24)/t14-,15?,16?,17?,21?/m1/s1