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

Systemtic Name: [2-(ethylamino)-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [2-(ethylamino)-2-oxo-ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [2-(ethylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethylamino)-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [2-(ethylamino)-2-keto-ethyl] ester Formula: C13H16BrNO3S MolecularWeight: 346.24004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrNO3S/c1-3-15-12(16)7-18-13(17)8-19-11-5-4-10(14)6-9(11)2/h4-6H,3,7-8H2,1-2H3,(H,15,16)