(phenylmethyl) (4R)-4-[(2-methyl-5-nitro-phenyl)carbamoyl]-1,3-thiazolidine-3-carboxylate

Systemtic Name: (phenylmethyl) (4R)-4-[(2-methyl-5-nitro-phenyl)carbamoyl]-1,3-thiazolidine-3-carboxylate Openeye Name: benzyl (4R)-4-[(2-methyl-5-nitro-phenyl)carbamoyl]thiazolidine-3-carboxylate CAS Name: (4R)-4-[(2-methyl-5-nitroanilino)-oxomethyl]-3-thiazolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4R)-4-[(2-methyl-5-nitrophenyl)carbamoyl]-1,3-thiazolidine-3-carboxylate Traditional Name: (4R)-4-[(2-methyl-5-nitro-phenyl)carbamoyl]thiazolidine-3-carboxylic acid benzyl ester Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CSCN2C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)[C@@H]2CSCN2C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H19N3O5S/c1-13-7-8-15(22(25)26)9-16(13)20-18(23)17-11-28-12-21(17)19(24)27-10-14-5-3-2-4-6-14/h2-9,17H,10-12H2,1H3,(H,20,23)/t17-/m0/s1