ethyl (2Z,3R,4S)-3-methyl-4-methylsulfanyl-4-methylsulfinyl-2-[(2-nitrophenyl)methylidene]-3-oxidanyl-butanoate

Systemtic Name: ethyl (2Z,3R,4S)-3-methyl-4-methylsulfanyl-4-methylsulfinyl-2-[(2-nitrophenyl)methylidene]-3-oxidanyl-butanoate Openeye Name: ethyl (2Z,3R,4S)-3-hydroxy-3-methyl-4-methylsulfanyl-4-methylsulfinyl-2-[(2-nitrophenyl)methylene]butanoate CAS Name: (2Z,3R,4S)-3-hydroxy-3-methyl-4-methylsulfinyl-4-(methylthio)-2-[(2-nitrophenyl)methylidene]butanoic acid ethyl ester IUPAC Name: ethyl (2Z,3R,4S)-3-hydroxy-3-methyl-4-methylsulfanyl-4-methylsulfinyl-2-[(2-nitrophenyl)methylidene]butanoate Traditional Name: (Z)-2-[(1R,2S)-1-hydroxy-1-methyl-2-methylsulfinyl-2-(methylthio)ethyl]-3-(2-nitrophenyl)acrylic acid ethyl ester Formula: C16H21NO6S2 MolecularWeight: 387.47104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC=CC=C1[N+](=O)[O-])C(C)(C(SC)S(=O)C)O

Isomeric SMILES

CCOC(=O)/C(=C\C1=CC=CC=C1[N+](=O)[O-])/[C@](C)([C@@H](SC)S(=O)C)O

InChI

InChI=1S/C16H21NO6S2/c1-5-23-14(18)12(16(2,19)15(24-3)25(4)22)10-11-8-6-7-9-13(11)17(20)21/h6-10,15,19H,5H2,1-4H3/b12-10+/t15-,16+,25?/m0/s1