2-[(3S)-1-(4-methoxycarbonylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylate

Systemtic Name: 2-[(3S)-1-(4-methoxycarbonylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[(3S)-1-(4-methoxycarbonylphenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[(3S)-1-(4-methoxycarbonylphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[(3S)-1-(4-methoxycarbonylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[(3S)-1-(4-carbomethoxyphenyl)-2,5-diketo-pyrrolidin-3-yl]thio]nicotinate Formula: C18H13N2O6S- MolecularWeight: 385.37062

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=C(C=CC=N3)C(=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)SC3=C(C=CC=N3)C(=O)[O-]

InChI

InChI=1S/C18H14N2O6S/c1-26-18(25)10-4-6-11(7-5-10)20-14(21)9-13(16(20)22)27-15-12(17(23)24)3-2-8-19-15/h2-8,13H,9H2,1H3,(H,23,24)/p-1/t13-/m0/s1