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

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 2-(1-bromanylnaphthalen-2-yl)sulfanylethanoate Openeye Name: [2-(cyclooctylamino)-2-oxo-ethyl] 2-[(1-bromo-2-naphthyl)sulfanyl]acetate CAS Name: 2-[(1-bromo-2-naphthalenyl)thio]acetic acid [2-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-2-oxoethyl] 2-(1-bromonaphthalen-2-yl)sulfanylacetate Traditional Name: 2-[(1-bromo-2-naphthyl)thio]acetic acid [2-(cyclooctylamino)-2-keto-ethyl] ester Formula: C22H26BrNO3S MolecularWeight: 464.41574

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)COC(=O)CSC2=C(C3=CC=CC=C3C=C2)Br

Isomeric SMILES

C1CCCC(CCC1)NC(=O)COC(=O)CSC2=C(C3=CC=CC=C3C=C2)Br

InChI

InChI=1S/C22H26BrNO3S/c23-22-18-11-7-6-8-16(18)12-13-19(22)28-15-21(26)27-14-20(25)24-17-9-4-2-1-3-5-10-17/h6-8,11-13,17H,1-5,9-10,14-15H2,(H,24,25)