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

Systemtic Name: 2-[(3R)-1-(3,5-dimethylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[(3R)-1-(3,5-dimethylphenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[(3R)-1-(3,5-dimethylphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[(3R)-1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[(3R)-1-(3,5-dimethylphenyl)-2,5-diketo-pyrrolidin-3-yl]thio]nicotinate Formula: C18H15N2O4S- MolecularWeight: 355.3877

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)CC(C2=O)SC3=C(C=CC=N3)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C[C@H](C2=O)SC3=C(C=CC=N3)C(=O)[O-])C

InChI

InChI=1S/C18H16N2O4S/c1-10-6-11(2)8-12(7-10)20-15(21)9-14(17(20)22)25-16-13(18(23)24)4-3-5-19-16/h3-8,14H,9H2,1-2H3,(H,23,24)/p-1/t14-/m1/s1