[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(4-chlorophenyl)thio]propanoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-chlorophenyl)thio]propionic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C22H28ClNO3S MolecularWeight: 421.98062

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)CCSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)CCSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H28ClNO3S/c23-18-1-3-19(4-2-18)28-6-5-21(26)27-13-20(25)24-14-22-10-15-7-16(11-22)9-17(8-15)12-22/h1-4,15-17H,5-14H2,(H,24,25)