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

Systemtic Name: 2-[5-[(3-carboxypyridin-2-yl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]ethanethioate Openeye Name: 2-[5-[(3-carboxy-2-pyridyl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]ethanethioate CAS Name: 2-[5-[[(3-carboxy-2-pyridinyl)amino]-oxomethyl]-1-[(4-nitrophenyl)methoxy-oxomethyl]-3-pyrrolidinyl]ethanethioate IUPAC Name: 2-[5-[(3-carboxypyridin-2-yl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]ethanethioate Traditional Name: 2-[5-[(3-carboxy-2-pyridyl)carbamoyl]-1-(4-nitrobenzyl)oxycarbonyl-pyrrolidin-3-yl]thioacetate Formula: C21H19N4O8S- MolecularWeight: 487.46256

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)NC2=C(C=CC=N2)C(=O)O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CC(=S)[O-]

Isomeric SMILES

C1C(CN(C1C(=O)NC2=C(C=CC=N2)C(=O)O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CC(=S)[O-]

InChI

InChI=1S/C21H20N4O8S/c26-17(34)9-13-8-16(19(27)23-18-15(20(28)29)2-1-7-22-18)24(10-13)21(30)33-11-12-3-5-14(6-4-12)25(31)32/h1-7,13,16H,8-11H2,(H,26,34)(H,28,29)(H,22,23,27)/p-1