2-[5-[(2-carboxy-4-nitro-phenyl)carbamoyl]-1-prop-2-enoxycarbonyl-pyrrolidin-3-yl]ethanethioate

Systemtic Name: 2-[5-[(2-carboxy-4-nitro-phenyl)carbamoyl]-1-prop-2-enoxycarbonyl-pyrrolidin-3-yl]ethanethioate Openeye Name: 2-[1-allyloxycarbonyl-5-[(2-carboxy-4-nitro-phenyl)carbamoyl]pyrrolidin-3-yl]ethanethioate CAS Name: 2-[5-[(2-carboxy-4-nitroanilino)-oxomethyl]-1-[oxo(prop-2-enoxy)methyl]-3-pyrrolidinyl]ethanethioate IUPAC Name: 2-[5-[(2-carboxy-4-nitrophenyl)carbamoyl]-1-prop-2-enoxycarbonylpyrrolidin-3-yl]ethanethioate Traditional Name: 2-[1-allyloxycarbonyl-5-[(2-carboxy-4-nitro-phenyl)carbamoyl]pyrrolidin-3-yl]thioacetate Formula: C18H18N3O8S- MolecularWeight: 436.41582

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)N1CC(CC1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)CC(=S)[O-]

Isomeric SMILES

C=CCOC(=O)N1CC(CC1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)CC(=S)[O-]

InChI

InChI=1S/C18H19N3O8S/c1-2-5-29-18(26)20-9-10(7-15(22)30)6-14(20)16(23)19-13-4-3-11(21(27)28)8-12(13)17(24)25/h2-4,8,10,14H,1,5-7,9H2,(H,19,23)(H,22,30)(H,24,25)/p-1