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

Systemtic Name: 2-[5-[(5-carboxy-1,3-thiazol-2-yl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]ethanethioate Openeye Name: 2-[5-[(5-carboxythiazol-2-yl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]ethanethioate CAS Name: 2-[5-[[(5-carboxy-2-thiazolyl)amino]-oxomethyl]-1-[(4-nitrophenyl)methoxy-oxomethyl]-3-pyrrolidinyl]ethanethioate IUPAC Name: 2-[5-[(5-carboxy-1,3-thiazol-2-yl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]ethanethioate Traditional Name: 2-[5-[(5-carboxythiazol-2-yl)carbamoyl]-1-(4-nitrobenzyl)oxycarbonyl-pyrrolidin-3-yl]thioacetate Formula: C19H17N4O8S2- MolecularWeight: 493.49028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)NC2=NC=C(S2)C(=O)O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CC(=S)[O-]

Isomeric SMILES

C1C(CN(C1C(=O)NC2=NC=C(S2)C(=O)O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CC(=S)[O-]

InChI

InChI=1S/C19H18N4O8S2/c24-15(32)6-11-5-13(16(25)21-18-20-7-14(33-18)17(26)27)22(8-11)19(28)31-9-10-1-3-12(4-2-10)23(29)30/h1-4,7,11,13H,5-6,8-9H2,(H,24,32)(H,26,27)(H,20,21,25)/p-1