[2-[[2-(methylamino)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)sulfanylethanoate

Systemtic Name: [2-[[2-(methylamino)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)sulfanylethanoate Openeye Name: [2-[[2-(methylamino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 2-(4-bromophenyl)sulfanylacetate CAS Name: 2-[(4-bromophenyl)thio]acetic acid [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-bromophenyl)sulfanylacetate Traditional Name: 2-[(4-bromophenyl)thio]acetic acid [2-keto-2-[[2-keto-2-(methylamino)ethyl]amino]ethyl] ester Formula: C13H15BrN2O4S MolecularWeight: 375.2382

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CNC(=O)COC(=O)CSC1=CC=C(C=C1)Br

Isomeric SMILES

CNC(=O)CNC(=O)COC(=O)CSC1=CC=C(C=C1)Br

InChI

InChI=1S/C13H15BrN2O4S/c1-15-11(17)6-16-12(18)7-20-13(19)8-21-10-4-2-9(14)3-5-10/h2-5H,6-8H2,1H3,(H,15,17)(H,16,18)