[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate CAS Name: 4-[(4-chlorophenyl)thio]butanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 4-(4-chlorophenyl)sulfanylbutanoate Traditional Name: 4-[(4-chlorophenyl)thio]butyric acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C22H28ClNO3S MolecularWeight: 421.98062

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CCCSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CCCSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H28ClNO3S/c23-18-3-5-19(6-4-18)28-7-1-2-21(26)27-14-20(25)24-22-11-15-8-16(12-22)10-17(9-15)13-22/h3-6,15-17H,1-2,7-14H2,(H,24,25)