ethyl 2-[3-[(4-methoxyphenyl)methylsulfanylmethyl]-2-oxidanylidene-3-(phenylmethyl)pyrrolidin-1-yl]propanoate

Systemtic Name: ethyl 2-[3-[(4-methoxyphenyl)methylsulfanylmethyl]-2-oxidanylidene-3-(phenylmethyl)pyrrolidin-1-yl]propanoate Openeye Name: ethyl 2-[3-benzyl-3-[(4-methoxyphenyl)methylsulfanylmethyl]-2-oxo-pyrrolidin-1-yl]propanoate CAS Name: 2-[3-[[(4-methoxyphenyl)methylthio]methyl]-2-oxo-3-(phenylmethyl)-1-pyrrolidinyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-[3-benzyl-3-[(4-methoxyphenyl)methylsulfanylmethyl]-2-oxopyrrolidin-1-yl]propanoate Traditional Name: 2-[3-benzyl-2-keto-3-[(p-anisylthio)methyl]pyrrolidino]propionic acid ethyl ester Formula: C25H31NO4S MolecularWeight: 441.58294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)N1CCC(C1=O)(CC2=CC=CC=C2)CSCC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C(C)N1CCC(C1=O)(CC2=CC=CC=C2)CSCC3=CC=C(C=C3)OC

InChI

InChI=1S/C25H31NO4S/c1-4-30-23(27)19(2)26-15-14-25(24(26)28,16-20-8-6-5-7-9-20)18-31-17-21-10-12-22(29-3)13-11-21/h5-13,19H,4,14-18H2,1-3H3