ethyl 2-[2-bromanylethanoyl-(phenylmethyl)amino]-2-[(4-methoxyphenyl)methylsulfanyl]ethanoate

Systemtic Name: ethyl 2-[2-bromanylethanoyl-(phenylmethyl)amino]-2-[(4-methoxyphenyl)methylsulfanyl]ethanoate Openeye Name: ethyl 2-[benzyl-(2-bromoacetyl)amino]-2-[(4-methoxyphenyl)methylsulfanyl]acetate CAS Name: 2-[(2-bromo-1-oxoethyl)-(phenylmethyl)amino]-2-[(4-methoxyphenyl)methylthio]acetic acid ethyl ester IUPAC Name: ethyl 2-[benzyl-(2-bromoacetyl)amino]-2-[(4-methoxyphenyl)methylsulfanyl]acetate Traditional Name: 2-[benzyl-(2-bromoacetyl)amino]-2-(p-anisylthio)acetic acid ethyl ester Formula: C21H24BrNO4S MolecularWeight: 466.38856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(N(CC1=CC=CC=C1)C(=O)CBr)SCC2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)C(N(CC1=CC=CC=C1)C(=O)CBr)SCC2=CC=C(C=C2)OC

InChI

InChI=1S/C21H24BrNO4S/c1-3-27-21(25)20(28-15-17-9-11-18(26-2)12-10-17)23(19(24)13-22)14-16-7-5-4-6-8-16/h4-12,20H,3,13-15H2,1-2H3