2-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-1-carboxylic acid

Systemtic Name: 2-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-1-carboxylic acid Openeye Name: 2-[(E)-3-ethoxy-3-oxo-prop-1-enyl]-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-1-carboxylic acid CAS Name: 2-[(E)-3-ethoxy-3-oxoprop-1-enyl]-4-[(4-methoxyphenyl)methylthio]-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[(E)-3-ethoxy-3-oxoprop-1-enyl]-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-1-carboxylic acid Traditional Name: 2-[(E)-3-ethoxy-3-keto-prop-1-enyl]-4-(p-anisylthio)pyrrolidine-1-carboxylic acid Formula: C18H23NO5S MolecularWeight: 365.44392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1CC(CN1C(=O)O)SCC2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)/C=C/C1CC(CN1C(=O)O)SCC2=CC=C(C=C2)OC

InChI

InChI=1S/C18H23NO5S/c1-3-24-17(20)9-6-14-10-16(11-19(14)18(21)22)25-12-13-4-7-15(23-2)8-5-13/h4-9,14,16H,3,10-12H2,1-2H3,(H,21,22)/b9-6+