2-[1-[(4-nitrophenyl)methoxycarbonyl]-5-[(6-prop-2-enoxycarbonylpyridin-2-yl)carbamoyl]pyrrolidin-3-yl]ethanethioate

Systemtic Name: 2-[1-[(4-nitrophenyl)methoxycarbonyl]-5-[(6-prop-2-enoxycarbonylpyridin-2-yl)carbamoyl]pyrrolidin-3-yl]ethanethioate Openeye Name: 2-[5-[(6-allyloxycarbonyl-2-pyridyl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]ethanethioate CAS Name: 2-[1-[(4-nitrophenyl)methoxy-oxomethyl]-5-[oxo-[[6-[oxo(prop-2-enoxy)methyl]-2-pyridinyl]amino]methyl]-3-pyrrolidinyl]ethanethioate IUPAC Name: 2-[1-[(4-nitrophenyl)methoxycarbonyl]-5-[(6-prop-2-enoxycarbonylpyridin-2-yl)carbamoyl]pyrrolidin-3-yl]ethanethioate Traditional Name: 2-[5-[(6-allyloxycarbonyl-2-pyridyl)carbamoyl]-1-(4-nitrobenzyl)oxycarbonyl-pyrrolidin-3-yl]thioacetate Formula: C24H23N4O8S- MolecularWeight: 527.52642

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C1=NC(=CC=C1)NC(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CC(=S)[O-]

Isomeric SMILES

C=CCOC(=O)C1=NC(=CC=C1)NC(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CC(=S)[O-]

InChI

InChI=1S/C24H24N4O8S/c1-2-10-35-23(31)18-4-3-5-20(25-18)26-22(30)19-11-16(12-21(29)37)13-27(19)24(32)36-14-15-6-8-17(9-7-15)28(33)34/h2-9,16,19H,1,10-14H2,(H,29,37)(H,25,26,30)/p-1