[(1S)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl] 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate

Systemtic Name: [(1S)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl] 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate Openeye Name: [(1S)-2-amino-2-oxo-1-phenyl-ethyl] 2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]acetic acid [(1S)-2-amino-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-amino-2-oxo-1-phenylethyl] 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid [(1S)-2-amino-2-keto-1-phenyl-ethyl] ester Formula: C18H18BrNO3S MolecularWeight: 408.30942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)OC(C2=CC=CC=C2)C(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)O[C@@H](C2=CC=CC=C2)C(=O)N

InChI

InChI=1S/C18H18BrNO3S/c1-11-9-15(12(2)8-14(11)19)24-10-16(21)23-17(18(20)22)13-6-4-3-5-7-13/h3-9,17H,10H2,1-2H3,(H2,20,22)/t17-/m0/s1