[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(1-bromanylnaphthalen-2-yl)sulfanylethanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(1-bromanylnaphthalen-2-yl)sulfanylethanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-[(1-bromo-2-naphthyl)sulfanyl]acetate CAS Name: 2-[(1-bromo-2-naphthalenyl)thio]acetic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-(1-bromonaphthalen-2-yl)sulfanylacetate Traditional Name: 2-[(1-bromo-2-naphthyl)thio]acetic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C24H26BrNO3S MolecularWeight: 488.43714

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CSC4=C(C5=CC=CC=C5C=C4)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CSC4=C(C5=CC=CC=C5C=C4)Br

InChI

InChI=1S/C24H26BrNO3S/c25-23-19-4-2-1-3-18(19)5-6-20(23)30-14-22(28)29-13-21(27)26-24-10-15-7-16(11-24)9-17(8-15)12-24/h1-6,15-17H,7-14H2,(H,26,27)