ethyl (E)-3-[(2S)-1-(2-chloranyl-2-phenylsulfanyl-ethanoyl)pyrrolidin-2-yl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[(2S)-1-(2-chloranyl-2-phenylsulfanyl-ethanoyl)pyrrolidin-2-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[(2S)-1-(2-chloro-2-phenylsulfanyl-acetyl)pyrrolidin-2-yl]prop-2-enoate CAS Name: (E)-3-[(2S)-1-[2-chloro-1-oxo-2-(phenylthio)ethyl]-2-pyrrolidinyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[(2S)-1-(2-chloro-2-phenylsulfanylacetyl)pyrrolidin-2-yl]prop-2-enoate Traditional Name: (E)-3-[(2S)-1-[2-chloro-2-(phenylthio)acetyl]pyrrolidin-2-yl]acrylic acid ethyl ester Formula: C17H20ClNO3S MolecularWeight: 353.8636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1CCCN1C(=O)C(SC2=CC=CC=C2)Cl

Isomeric SMILES

CCOC(=O)/C=C/[C@@H]1CCCN1C(=O)C(SC2=CC=CC=C2)Cl

InChI

InChI=1S/C17H20ClNO3S/c1-2-22-15(20)11-10-13-7-6-12-19(13)17(21)16(18)23-14-8-4-3-5-9-14/h3-5,8-11,13,16H,2,6-7,12H2,1H3/b11-10+/t13-,16?/m0/s1