[2-oxidanylidene-2-(4-phenylbutan-2-ylamino)ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylbutan-2-ylamino)ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [2-[(1-methyl-3-phenyl-propyl)amino]-2-oxo-ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [2-keto-2-[(1-methyl-3-phenyl-propyl)amino]ethyl] ester Formula: C21H24BrNO3S MolecularWeight: 450.38916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)NC(C)CCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)NC(C)CCC2=CC=CC=C2

InChI

InChI=1S/C21H24BrNO3S/c1-15-12-18(22)10-11-19(15)27-14-21(25)26-13-20(24)23-16(2)8-9-17-6-4-3-5-7-17/h3-7,10-12,16H,8-9,13-14H2,1-2H3,(H,23,24)