methyl (2S,3S)-3-(4-methoxyphenyl)-3-(3-nitrothiophen-2-yl)sulfanyl-2-oxidanyl-propanoate

Systemtic Name: methyl (2S,3S)-3-(4-methoxyphenyl)-3-(3-nitrothiophen-2-yl)sulfanyl-2-oxidanyl-propanoate Openeye Name: methyl (2S,3S)-2-hydroxy-3-(4-methoxyphenyl)-3-[(3-nitro-2-thienyl)sulfanyl]propanoate CAS Name: (2S,3S)-2-hydroxy-3-(4-methoxyphenyl)-3-[(3-nitro-2-thiophenyl)thio]propanoic acid methyl ester IUPAC Name: methyl (2S,3S)-2-hydroxy-3-(4-methoxyphenyl)-3-(3-nitrothiophen-2-yl)sulfanylpropanoate Traditional Name: (2S,3S)-2-hydroxy-3-(4-methoxyphenyl)-3-[(3-nitro-2-thienyl)thio]propionic acid methyl ester Formula: C15H15NO6S2 MolecularWeight: 369.4127

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C(C(=O)OC)O)SC2=C(C=CS2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]([C@H](C(=O)OC)O)SC2=C(C=CS2)[N+](=O)[O-]

InChI

InChI=1S/C15H15NO6S2/c1-21-10-5-3-9(4-6-10)13(12(17)14(18)22-2)24-15-11(16(19)20)7-8-23-15/h3-8,12-13,17H,1-2H3/t12-,13+/m1/s1