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

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [2-keto-2-(sec-butylamino)ethyl] ester Formula: C15H20BrNO3S MolecularWeight: 374.2932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20BrNO3S/c1-4-11(3)17-14(18)8-20-15(19)9-21-13-6-5-12(16)7-10(13)2/h5-7,11H,4,8-9H2,1-3H3,(H,17,18)