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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)CSC1=C(C=C(C=C1)Br)C

Isomeric SMILES

CCCCNC(=O)COC(=O)CSC1=C(C=C(C=C1)Br)C

InChI

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