(4-nitrophenyl)methyl carbamate; (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-ethyl-3-(1,3-thiazol-5-yl)pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl carbamate; (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-ethyl-3-(1,3-thiazol-5-yl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-ethyl-3-thiazol-5-yl-pyrrolidine-1-carboxylate; (4-nitrophenyl)methyl carbamate CAS Name: 4-(acetylthio)-2-ethyl-3-(5-thiazolyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester; carbamic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-ethyl-3-(1,3-thiazol-5-yl)pyrrolidine-1-carboxylate; (4-nitrophenyl)methyl carbamate Traditional Name: 4-(acetylthio)-2-ethyl-3-thiazol-5-yl-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester; carbamic acid (4-nitrobenzyl) ester Formula: C27H29N5O9S2 MolecularWeight: 631.67726

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC(=O)C)C3=CN=CS3.C1=CC(=CC=C1COC(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCC1C(C(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC(=O)C)C3=CN=CS3.C1=CC(=CC=C1COC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S2.C8H8N2O4/c1-3-15-18(16-8-20-11-28-16)17(29-12(2)23)9-21(15)19(24)27-10-13-4-6-14(7-5-13)22(25)26;9-8(11)14-5-6-1-3-7(4-2-6)10(12)13/h4-8,11,15,17-18H,3,9-10H2,1-2H3;1-4H,5H2,(H2,9,11)