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

Systemtic Name: 2-[5-[(4-ethoxycarbonyl-1,3-thiazol-2-yl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]ethanethioate Openeye Name: 2-[5-[(4-ethoxycarbonylthiazol-2-yl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]ethanethioate CAS Name: 2-[5-[[(4-ethoxycarbonyl-2-thiazolyl)amino]-oxomethyl]-1-[(4-nitrophenyl)methoxy-oxomethyl]-3-pyrrolidinyl]ethanethioate IUPAC Name: 2-[5-[(4-ethoxycarbonyl-1,3-thiazol-2-yl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]ethanethioate Traditional Name: 2-[5-[(4-carbethoxythiazol-2-yl)carbamoyl]-1-(4-nitrobenzyl)oxycarbonyl-pyrrolidin-3-yl]thioacetate Formula: C21H21N4O8S2- MolecularWeight: 521.54344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)NC(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CC(=S)[O-]

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)NC(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CC(=S)[O-]

InChI

InChI=1S/C21H22N4O8S2/c1-2-32-19(28)15-11-35-20(22-15)23-18(27)16-7-13(8-17(26)34)9-24(16)21(29)33-10-12-3-5-14(6-4-12)25(30)31/h3-6,11,13,16H,2,7-10H2,1H3,(H,26,34)(H,22,23,27)/p-1