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

Systemtic Name: 2-[(3S)-1-(4-hydroxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[(3S)-1-(4-hydroxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[(3S)-1-(4-hydroxyphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[(3S)-1-(4-hydroxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[(3S)-1-(4-hydroxyphenyl)-2,5-diketo-pyrrolidin-3-yl]thio]nicotinate Formula: C16H11N2O5S- MolecularWeight: 343.33394

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)O)SC3=C(C=CC=N3)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O5S/c19-10-5-3-9(4-6-10)18-13(20)8-12(15(18)21)24-14-11(16(22)23)2-1-7-17-14/h1-7,12,19H,8H2,(H,22,23)/p-1/t12-/m0/s1