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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O4S/c1-11(12-6-3-2-4-7-12)20-15(21)10-14(17(20)22)25-16-13(18(23)24)8-5-9-19-16/h2-9,11,14H,10H2,1H3,(H,23,24)/p-1/t11-,14+/m1/s1