4-nitro-3-[1-prop-2-enoxycarbonyl-4-(triphenylmethyl)sulfanyl-pyrrolidin-2-yl]butanoic acid

Systemtic Name: 4-nitro-3-[1-prop-2-enoxycarbonyl-4-(triphenylmethyl)sulfanyl-pyrrolidin-2-yl]butanoic acid Openeye Name: 3-(1-allyloxycarbonyl-4-tritylsulfanyl-pyrrolidin-2-yl)-4-nitro-butanoic acid CAS Name: 4-nitro-3-[1-[oxo(prop-2-enoxy)methyl]-4-[(triphenylmethyl)thio]-2-pyrrolidinyl]butanoic acid IUPAC Name: 4-nitro-3-(1-prop-2-enoxycarbonyl-4-tritylsulfanylpyrrolidin-2-yl)butanoic acid Traditional Name: 3-[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(=O)O)C[N+](=O)[O-])SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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