2-[5-oxidanylidene-1-(4-phenoxyphenyl)carbonyl-pyrrolidin-3-yl]ethanethioate

Systemtic Name: 2-[5-oxidanylidene-1-(4-phenoxyphenyl)carbonyl-pyrrolidin-3-yl]ethanethioate Openeye Name: 2-[5-oxo-1-(4-phenoxybenzoyl)pyrrolidin-3-yl]ethanethioate CAS Name: 2-[5-oxo-1-[oxo-(4-phenoxyphenyl)methyl]-3-pyrrolidinyl]ethanethioate IUPAC Name: 2-[5-oxo-1-(4-phenoxybenzoyl)pyrrolidin-3-yl]ethanethioate Traditional Name: 2-[5-keto-1-(4-phenoxybenzoyl)pyrrolidin-3-yl]thioacetate Formula: C19H16NO4S- MolecularWeight: 354.39964

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)C(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)CC(=S)[O-]

Isomeric SMILES

C1C(CN(C1=O)C(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)CC(=S)[O-]

InChI

InChI=1S/C19H17NO4S/c21-17-10-13(11-18(22)25)12-20(17)19(23)14-6-8-16(9-7-14)24-15-4-2-1-3-5-15/h1-9,13H,10-12H2,(H,22,25)/p-1