2-[4-[(4-methoxyphenyl)methylsulfanyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-2-yl]ethanoic acid

Systemtic Name: 2-[4-[(4-methoxyphenyl)methylsulfanyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-2-yl]ethanoic acid Openeye Name: 2-[4-[(4-methoxyphenyl)methylsulfanyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-2-yl]acetic acid CAS Name: 2-[4-[(4-methoxyphenyl)methylthio]-1-[(4-nitrophenyl)methoxy-oxomethyl]-2-pyrrolidinyl]acetic acid IUPAC Name: 2-[4-[(4-methoxyphenyl)methylsulfanyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-2-yl]acetic acid Traditional Name: 2-[1-(4-nitrobenzyl)oxycarbonyl-4-(p-anisylthio)pyrrolidin-2-yl]acetic acid Formula: C22H24N2O7S MolecularWeight: 460.50016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2CC(N(C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CSC2CC(N(C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C22H24N2O7S/c1-30-19-8-4-16(5-9-19)14-32-20-10-18(11-21(25)26)23(12-20)22(27)31-13-15-2-6-17(7-3-15)24(28)29/h2-9,18,20H,10-14H2,1H3,(H,25,26)