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

Systemtic Name: 4-nitro-2-[1-prop-2-enoxycarbonyl-4-(triphenylmethyl)sulfanyl-pyrrolidin-2-yl]butanoic acid Openeye Name: 2-(1-allyloxycarbonyl-4-tritylsulfanyl-pyrrolidin-2-yl)-4-nitro-butanoic acid CAS Name: 4-nitro-2-[1-[oxo(prop-2-enoxy)methyl]-4-[(triphenylmethyl)thio]-2-pyrrolidinyl]butanoic acid IUPAC Name: 4-nitro-2-(1-prop-2-enoxycarbonyl-4-tritylsulfanylpyrrolidin-2-yl)butanoic acid Traditional Name: 2-[1-allyloxycarbonyl-4-(tritylthio)pyrrolidin-2-yl]-4-nitro-butyric acid Formula: C31H32N2O6S MolecularWeight: 560.66058

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)N1CC(CC1C(CC[N+](=O)[O-])C(=O)O)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C=CCOC(=O)N1CC(CC1C(CC[N+](=O)[O-])C(=O)O)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H32N2O6S/c1-2-20-39-30(36)32-22-26(21-28(32)27(29(34)35)18-19-33(37)38)40-31(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h2-17,26-28H,1,18-22H2,(H,34,35)