[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C16H22BrNO3S MolecularWeight: 388.31978

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)CSC1=C(C=C(C=C1)Br)C

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)CSC1=C(C=C(C=C1)Br)C

InChI

InChI=1S/C16H22BrNO3S/c1-4-13(5-2)18-15(19)9-21-16(20)10-22-14-7-6-12(17)8-11(14)3/h6-8,13H,4-5,9-10H2,1-3H3,(H,18,19)