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ethyl (2S)-2-(4-methylphenyl)sulfanyl-3-nitro-2-phenyl-propanoate

ethyl (2S)-2-(4-methylphenyl)sulfanyl-3-nitro-2-phenyl-propanoate

Systemtic Name:ethyl (2S)-2-(4-methylphenyl)sulfanyl-3-nitro-2-phenyl-propanoate
Openeye Name:ethyl (2S)-3-nitro-2-phenyl-2-(p-tolylsulfanyl)propanoate
CAS Name:(2S)-2-[(4-methylphenyl)thio]-3-nitro-2-phenylpropanoic acid ethyl ester
IUPAC Name:ethyl (2S)-2-(4-methylphenyl)sulfanyl-3-nitro-2-phenylpropanoate
Traditional Name:(2S)-3-nitro-2-phenyl-2-(p-tolylthio)propionic acid ethyl ester
Formula: C18H19NO4S
MolecularWeight: 345.41276
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C[N+](=O)[O-])(C1=CC=CC=C1)SC2=CC=C(C=C2)C


Isomeric SMILES

CCOC(=O)[C@@](C[N+](=O)[O-])(C1=CC=CC=C1)SC2=CC=C(C=C2)C


InChI

InChI=1S/C18H19NO4S/c1-3-23-17(20)18(13-19(21)22,15-7-5-4-6-8-15)24-16-11-9-14(2)10-12-16/h4-12H,3,13H2,1-2H3/t18-/m1/s1


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