[(2S,3R)-3-[4-[(E)-2-acetamidoethenyl]sulfanyl-5-methoxycarbonyl-1H-pyrrol-2-yl]-4-oxidanyl-4-oxidanylidene-butan-2-yl] sulfate

Systemtic Name: [(2S,3R)-3-[4-[(E)-2-acetamidoethenyl]sulfanyl-5-methoxycarbonyl-1H-pyrrol-2-yl]-4-oxidanyl-4-oxidanylidene-butan-2-yl] sulfate Openeye Name: [(1S,2R)-2-[4-[(E)-2-acetamidovinyl]sulfanyl-5-methoxycarbonyl-1H-pyrrol-2-yl]-3-hydroxy-1-methyl-3-oxo-propyl] sulfate CAS Name: [(2S,3R)-3-[4-[[(E)-2-acetamidoethenyl]thio]-5-methoxycarbonyl-1H-pyrrol-2-yl]-4-hydroxy-4-oxobutan-2-yl] sulfate IUPAC Name: [(2S,3R)-3-[4-[(E)-2-acetamidoethenyl]sulfanyl-5-methoxycarbonyl-1H-pyrrol-2-yl]-4-hydroxy-4-oxobutan-2-yl] sulfate Traditional Name: [(1S,2R)-2-[4-[[(E)-2-acetamidovinyl]thio]-5-carbomethoxy-1H-pyrrol-2-yl]-3-hydroxy-3-keto-1-methyl-propyl] sulfate Formula: C14H17N2O9S2- MolecularWeight: 421.42278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC(=C(N1)C(=O)OC)SC=CNC(=O)C)C(=O)O)OS(=O)(=O)[O-]

Isomeric SMILES

C[C@@H]([C@@H](C1=CC(=C(N1)C(=O)OC)S/C=C/NC(=O)C)C(=O)O)OS(=O)(=O)[O-]

InChI

InChI=1S/C14H18N2O9S2/c1-7(25-27(21,22)23)11(13(18)19)9-6-10(12(16-9)14(20)24-3)26-5-4-15-8(2)17/h4-7,11,16H,1-3H3,(H,15,17)(H,18,19)(H,21,22,23)/p-1/b5-4+/t7-,11-/m0/s1