ethyl (2S)-2-azanyl-3-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-propanoate

Systemtic Name: ethyl (2S)-2-azanyl-3-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-propanoate Openeye Name: ethyl (2S)-2-amino-3-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-propanoate CAS Name: (2S)-2-amino-3-[[2-(4-bromophenyl)-2-oxoethyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-amino-3-[2-(4-bromophenyl)-2-oxoethyl]sulfanylpropanoate Traditional Name: (2S)-2-amino-3-[[2-(4-bromophenyl)-2-keto-ethyl]thio]propionic acid ethyl ester Formula: C13H16BrNO3S MolecularWeight: 346.24004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC(=O)C1=CC=C(C=C1)Br)N

Isomeric SMILES

CCOC(=O)[C@@H](CSCC(=O)C1=CC=C(C=C1)Br)N

InChI

InChI=1S/C13H16BrNO3S/c1-2-18-13(17)11(15)7-19-8-12(16)9-3-5-10(14)6-4-9/h3-6,11H,2,7-8,15H2,1H3/t11-/m1/s1