[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]acetic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C17H24BrNO3S MolecularWeight: 402.34636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24BrNO3S/c1-5-13(6-2)19-16(20)9-22-17(21)10-23-15-8-11(3)14(18)7-12(15)4/h7-8,13H,5-6,9-10H2,1-4H3,(H,19,20)