[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 2-(4-bromophenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 2-(4-bromophenyl)sulfanylethanoate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 2-(4-bromophenyl)sulfanylacetate CAS Name: 2-[(4-bromophenyl)thio]acetic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(4-bromophenyl)sulfanylacetate Traditional Name: 2-[(4-bromophenyl)thio]acetic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C14H15BrN2O4S MolecularWeight: 387.2489

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15BrN2O4S/c1-2-7-16-14(20)17-12(18)8-21-13(19)9-22-11-5-3-10(15)4-6-11/h2-6H,1,7-9H2,(H2,16,17,18,20)