[2-(ethylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-bromophenyl)methylsulfanyl]propanoate

Systemtic Name: [2-(ethylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-bromophenyl)methylsulfanyl]propanoate Openeye Name: [2-(ethylcarbamoylamino)-2-oxo-ethyl] (2S)-2-[(4-bromophenyl)methylsulfanyl]propanoate CAS Name: (2S)-2-[(4-bromophenyl)methylthio]propanoic acid [2-(ethylcarbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethylcarbamoylamino)-2-oxoethyl] (2S)-2-[(4-bromophenyl)methylsulfanyl]propanoate Traditional Name: (2S)-2-[(4-bromobenzyl)thio]propionic acid [2-(ethylcarbamoylamino)-2-keto-ethyl] ester Formula: C15H19BrN2O4S MolecularWeight: 403.29136

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)COC(=O)C(C)SCC1=CC=C(C=C1)Br

Isomeric SMILES

CCNC(=O)NC(=O)COC(=O)[C@H](C)SCC1=CC=C(C=C1)Br

InChI

InChI=1S/C15H19BrN2O4S/c1-3-17-15(21)18-13(19)8-22-14(20)10(2)23-9-11-4-6-12(16)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H2,17,18,19,21)/t10-/m0/s1