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

Systemtic Name: 2-[(3S)-1-(3-methylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[(3S)-1-(m-tolyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[(3S)-1-(3-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[(3S)-1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[(3S)-2,5-diketo-1-(m-tolyl)pyrrolidin-3-yl]thio]nicotinate Formula: C17H13N2O4S- MolecularWeight: 341.36112

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O4S/c1-10-4-2-5-11(8-10)19-14(20)9-13(16(19)21)24-15-12(17(22)23)6-3-7-18-15/h2-8,13H,9H2,1H3,(H,22,23)/p-1/t13-/m0/s1