(4-nitrophenyl)methyl 2-(2-methyl-1,3-thiazol-4-yl)-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(2-methyl-1,3-thiazol-4-yl)-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(2-methylthiazol-4-yl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 4-mercapto-2-(2-methyl-4-thiazolyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(2-methyl-1,3-thiazol-4-yl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 4-mercapto-2-(2-methylthiazol-4-yl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C16H17N3O4S2 MolecularWeight: 379.45388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

CC1=NC(=CS1)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C16H17N3O4S2/c1-10-17-14(9-25-10)15-6-13(24)7-18(15)16(20)23-8-11-2-4-12(5-3-11)19(21)22/h2-5,9,13,15,24H,6-8H2,1H3