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

Systemtic Name: methyl 3-(4-methyl-3-nitro-phenyl)carbonyl-2-phenethyl-1,3-thiazolidine-4-carboxylate Openeye Name: methyl 3-(4-methyl-3-nitro-benzoyl)-2-phenethyl-thiazolidine-4-carboxylate CAS Name: 3-[(4-methyl-3-nitrophenyl)-oxomethyl]-2-phenethyl-4-thiazolidinecarboxylic acid methyl ester IUPAC Name: methyl 3-(4-methyl-3-nitrobenzoyl)-2-phenethyl-1,3-thiazolidine-4-carboxylate Traditional Name: 3-(4-methyl-3-nitro-benzoyl)-2-phenethyl-thiazolidine-4-carboxylic acid methyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2C(CSC2CCC3=CC=CC=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2C(CSC2CCC3=CC=CC=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O5S/c1-14-8-10-16(12-17(14)23(26)27)20(24)22-18(21(25)28-2)13-29-19(22)11-9-15-6-4-3-5-7-15/h3-8,10,12,18-19H,9,11,13H2,1-2H3