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

Systemtic Name: 2-[(3R)-1-(2-chloranyl-3-methyl-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[(3R)-1-(2-chloro-3-methyl-phenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[(3R)-1-(2-chloro-3-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[(3R)-1-(2-chloro-3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[(3R)-1-(2-chloro-3-methyl-phenyl)-2,5-diketo-pyrrolidin-3-yl]thio]nicotinate Formula: C17H12ClN2O4S- MolecularWeight: 375.80618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClN2O4S/c1-9-4-2-6-11(14(9)18)20-13(21)8-12(16(20)22)25-15-10(17(23)24)5-3-7-19-15/h2-7,12H,8H2,1H3,(H,23,24)/p-1/t12-/m1/s1