ethyl 2-[(2S,4S)-4-ethanoylsulfanyl-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[(2S,4S)-4-ethanoylsulfanyl-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[(2S,4S)-4-acetylsulfanyl-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-2-yl]thiazole-4-carboxylate CAS Name: 2-[(2S,4S)-4-(acetylthio)-1-[(4-nitrophenyl)methoxy-oxomethyl]-2-pyrrolidinyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2S,4S)-4-acetylsulfanyl-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[(2S,4S)-4-(acetylthio)-1-(4-nitrobenzyl)oxycarbonyl-pyrrolidin-2-yl]thiazole-4-carboxylic acid ethyl ester Formula: C20H21N3O7S2 MolecularWeight: 479.52664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)[C@@H]2C[C@@H](CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC(=O)C

InChI

InChI=1S/C20H21N3O7S2/c1-3-29-19(25)16-11-31-18(21-16)17-8-15(32-12(2)24)9-22(17)20(26)30-10-13-4-6-14(7-5-13)23(27)28/h4-7,11,15,17H,3,8-10H2,1-2H3/t15-,17-/m0/s1