[2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] (2R)-2-phenylsulfanylpropanoate

Systemtic Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] (2R)-2-phenylsulfanylpropanoate Openeye Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxo-ethyl] (2R)-2-phenylsulfanylpropanoate CAS Name: (2R)-2-(phenylthio)propanoic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] (2R)-2-phenylsulfanylpropanoate Traditional Name: (2R)-2-(phenylthio)propionic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C24H30N2O3S MolecularWeight: 426.5716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N(CCC#N)C12CC3CC(C1)CC(C3)C2)SC4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)OCC(=O)N(CCC#N)C12CC3CC(C1)CC(C3)C2)SC4=CC=CC=C4

InChI

InChI=1S/C24H30N2O3S/c1-17(30-21-6-3-2-4-7-21)23(28)29-16-22(27)26(9-5-8-25)24-13-18-10-19(14-24)12-20(11-18)15-24/h2-4,6-7,17-20H,5,9-16H2,1H3/t17-,18?,19?,20?,24?/m1/s1