[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-(4-bromophenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-(4-bromophenyl)sulfanylethanoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 2-(4-bromophenyl)sulfanylacetate CAS Name: 2-[(4-bromophenyl)thio]acetic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 2-(4-bromophenyl)sulfanylacetate Traditional Name: 2-[(4-bromophenyl)thio]acetic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C15H20BrNO3S MolecularWeight: 374.2932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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