[(1R)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl] 2-(4-methoxyphenyl)sulfanylethanoate

Systemtic Name: [(1R)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl] 2-(4-methoxyphenyl)sulfanylethanoate Openeye Name: [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl] 2-(4-methoxyphenyl)sulfanylacetate CAS Name: 2-[(4-methoxyphenyl)thio]acetic acid [(1R)-2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-(4-methoxyphenyl)sulfanylacetate Traditional Name: 2-[(4-methoxyphenyl)thio]acetic acid [(1R)-2-keto-1-phenyl-2-pyrrolidino-ethyl] ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC(=O)OC(C2=CC=CC=C2)C(=O)N3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)SCC(=O)O[C@H](C2=CC=CC=C2)C(=O)N3CCCC3

InChI

InChI=1S/C21H23NO4S/c1-25-17-9-11-18(12-10-17)27-15-19(23)26-20(16-7-3-2-4-8-16)21(24)22-13-5-6-14-22/h2-4,7-12,20H,5-6,13-15H2,1H3/t20-/m1/s1