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

Systemtic Name: 2-[(3S)-1-(2-ethoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[(3S)-1-(2-ethoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[(3S)-1-(2-ethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[(3S)-1-(2-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[(3S)-2,5-diketo-1-o-phenetyl-pyrrolidin-3-yl]thio]nicotinate Formula: C18H15N2O5S- MolecularWeight: 371.3871

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=O)CC(C2=O)SC3=C(C=CC=N3)C(=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=O)C[C@@H](C2=O)SC3=C(C=CC=N3)C(=O)[O-]

InChI

InChI=1S/C18H16N2O5S/c1-2-25-13-8-4-3-7-12(13)20-15(21)10-14(17(20)22)26-16-11(18(23)24)6-5-9-19-16/h3-9,14H,2,10H2,1H3,(H,23,24)/p-1/t14-/m0/s1