[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CCSC4=CC=CC=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CCSC4=CC=CC=C4

InChI

InChI=1S/C21H27NO3S/c23-19(14-25-20(24)6-7-26-18-4-2-1-3-5-18)22-21-11-15-8-16(12-21)10-17(9-15)13-21/h1-5,15-17H,6-14H2,(H,22,23)