ethyl (E)-3-[(2S)-1-(2-phenylsulfanylethanoyl)pyrrolidin-2-yl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[(2S)-1-(2-phenylsulfanylethanoyl)pyrrolidin-2-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[(2S)-1-(2-phenylsulfanylacetyl)pyrrolidin-2-yl]prop-2-enoate CAS Name: (E)-3-[(2S)-1-[1-oxo-2-(phenylthio)ethyl]-2-pyrrolidinyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[(2S)-1-(2-phenylsulfanylacetyl)pyrrolidin-2-yl]prop-2-enoate Traditional Name: (E)-3-[(2S)-1-[2-(phenylthio)acetyl]pyrrolidin-2-yl]acrylic acid ethyl ester Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1CCCN1C(=O)CSC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C=C/[C@@H]1CCCN1C(=O)CSC2=CC=CC=C2

InChI

InChI=1S/C17H21NO3S/c1-2-21-17(20)11-10-14-7-6-12-18(14)16(19)13-22-15-8-4-3-5-9-15/h3-5,8-11,14H,2,6-7,12-13H2,1H3/b11-10+/t14-/m0/s1