methyl 3-(4-chloranyl-3-nitro-phenyl)carbonyl-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylate

Systemtic Name: methyl 3-(4-chloranyl-3-nitro-phenyl)carbonyl-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylate Openeye Name: methyl 3-(4-chloro-3-nitro-benzoyl)-2-(p-tolyl)thiazolidine-4-carboxylate CAS Name: 3-[(4-chloro-3-nitrophenyl)-oxomethyl]-2-(4-methylphenyl)-4-thiazolidinecarboxylic acid methyl ester IUPAC Name: methyl 3-(4-chloro-3-nitrobenzoyl)-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylate Traditional Name: 3-(4-chloro-3-nitro-benzoyl)-2-(p-tolyl)thiazolidine-4-carboxylic acid methyl ester Formula: C19H17ClN2O5S MolecularWeight: 420.86668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2N(C(CS2)C(=O)OC)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2N(C(CS2)C(=O)OC)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H17ClN2O5S/c1-11-3-5-12(6-4-11)18-21(16(10-28-18)19(24)27-2)17(23)13-7-8-14(20)15(9-13)22(25)26/h3-9,16,18H,10H2,1-2H3