[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(4-bromanyl-8-chloranyl-naphthalen-1-yl)sulfanylethanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(4-bromanyl-8-chloranyl-naphthalen-1-yl)sulfanylethanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-[(4-bromo-8-chloro-1-naphthyl)sulfanyl]acetate CAS Name: 2-[(4-bromo-8-chloro-1-naphthalenyl)thio]acetic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-(4-bromo-8-chloronaphthalen-1-yl)sulfanylacetate Traditional Name: 2-[(4-bromo-8-chloro-1-naphthyl)thio]acetic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C24H25BrClNO3S MolecularWeight: 522.8822

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CSC4=C5C(=C(C=C4)Br)C=CC=C5Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CSC4=C5C(=C(C=C4)Br)C=CC=C5Cl

InChI

InChI=1S/C24H25BrClNO3S/c25-18-4-5-20(23-17(18)2-1-3-19(23)26)31-13-22(29)30-12-21(28)27-24-9-14-6-15(10-24)8-16(7-14)11-24/h1-5,14-16H,6-13H2,(H,27,28)