methyl 2-(2-methyl-4-nitro-phenyl)imino-3-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate

Systemtic Name: methyl 2-(2-methyl-4-nitro-phenyl)imino-3-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate Openeye Name: methyl 3-isobutyl-2-(2-methyl-4-nitro-phenyl)imino-thiazolidine-4-carboxylate CAS Name: 2-(2-methyl-4-nitrophenyl)imino-3-(2-methylpropyl)-4-thiazolidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-methyl-4-nitrophenyl)imino-3-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate Traditional Name: 3-isobutyl-2-(2-methyl-4-nitro-phenyl)imino-thiazolidine-4-carboxylic acid methyl ester Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O4S/c1-10(2)8-18-14(15(20)23-4)9-24-16(18)17-13-6-5-12(19(21)22)7-11(13)3/h5-7,10,14H,8-9H2,1-4H3