4-ethoxy-4-oxidanylidene-2-[1-prop-2-enoxycarbonyl-4-(triphenylmethyl)sulfanyl-pyrrolidin-2-yl]butanoic acid

Systemtic Name: 4-ethoxy-4-oxidanylidene-2-[1-prop-2-enoxycarbonyl-4-(triphenylmethyl)sulfanyl-pyrrolidin-2-yl]butanoic acid Openeye Name: 2-(1-allyloxycarbonyl-4-tritylsulfanyl-pyrrolidin-2-yl)-4-ethoxy-4-oxo-butanoic acid CAS Name: 4-ethoxy-4-oxo-2-[1-[oxo(prop-2-enoxy)methyl]-4-[(triphenylmethyl)thio]-2-pyrrolidinyl]butanoic acid IUPAC Name: 4-ethoxy-4-oxo-2-(1-prop-2-enoxycarbonyl-4-tritylsulfanylpyrrolidin-2-yl)butanoic acid Traditional Name: 2-[1-allyloxycarbonyl-4-(tritylthio)pyrrolidin-2-yl]-4-ethoxy-4-keto-butyric acid Formula: C33H35NO6S MolecularWeight: 573.6991

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1CC(CN1C(=O)OCC=C)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCOC(=O)CC(C1CC(CN1C(=O)OCC=C)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C33H35NO6S/c1-3-20-40-32(38)34-23-27(21-29(34)28(31(36)37)22-30(35)39-4-2)41-33(24-14-8-5-9-15-24,25-16-10-6-11-17-25)26-18-12-7-13-19-26/h3,5-19,27-29H,1,4,20-23H2,2H3,(H,36,37)