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

Systemtic Name: ethyl 2-[(2S,4S)-1-[(4-nitrophenyl)methoxycarbonyl]-4-sulfanyl-pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[(2S,4S)-1-[(4-nitrophenyl)methoxycarbonyl]-4-sulfanyl-pyrrolidin-2-yl]thiazole-4-carboxylate CAS Name: 2-[(2S,4S)-4-mercapto-1-[(4-nitrophenyl)methoxy-oxomethyl]-2-pyrrolidinyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2S,4S)-1-[(4-nitrophenyl)methoxycarbonyl]-4-sulfanylpyrrolidin-2-yl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[(2S,4S)-4-mercapto-1-(4-nitrobenzyl)oxycarbonyl-pyrrolidin-2-yl]thiazole-4-carboxylic acid ethyl ester Formula: C18H19N3O6S2 MolecularWeight: 437.48996

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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-])S

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O6S2/c1-2-26-17(22)14-10-29-16(19-14)15-7-13(28)8-20(15)18(23)27-9-11-3-5-12(6-4-11)21(24)25/h3-6,10,13,15,28H,2,7-9H2,1H3/t13-,15-/m0/s1