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

Systemtic Name: 2-[(3S)-1-(2-butoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[(3S)-1-(2-butoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[(3S)-1-(2-butoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[(3S)-1-(2-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[(3S)-1-(2-butoxyphenyl)-2,5-diketo-pyrrolidin-3-yl]thio]nicotinate Formula: C20H19N2O5S- MolecularWeight: 399.44026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1N2C(=O)CC(C2=O)SC3=C(C=CC=N3)C(=O)[O-]

Isomeric SMILES

CCCCOC1=CC=CC=C1N2C(=O)C[C@@H](C2=O)SC3=C(C=CC=N3)C(=O)[O-]

InChI

InChI=1S/C20H20N2O5S/c1-2-3-11-27-15-9-5-4-8-14(15)22-17(23)12-16(19(22)24)28-18-13(20(25)26)7-6-10-21-18/h4-10,16H,2-3,11-12H2,1H3,(H,25,26)/p-1/t16-/m0/s1