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

Systemtic Name: [2-oxidanylidene-2-(propylamino)ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [2-oxo-2-(propylamino)ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [2-oxo-2-(propylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propylamino)ethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [2-keto-2-(propylamino)ethyl] ester Formula: C14H18BrNO3S MolecularWeight: 360.26662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrNO3S/c1-3-6-16-13(17)8-19-14(18)9-20-12-5-4-11(15)7-10(12)2/h4-5,7H,3,6,8-9H2,1-2H3,(H,16,17)