O1-methyl O3-[[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-[[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[[2-(4-methylanilino)thiazol-4-yl]methyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[[2-(4-methylanilino)-4-thiazolyl]methyl] ester IUPAC Name: 1-O-methyl 3-O-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[[2-(p-toluidino)thiazol-4-yl]methyl] ester Formula: C20H17N3O6S MolecularWeight: 427.43048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=CC(=CC(=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=CC(=CC(=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O6S/c1-12-3-5-15(6-4-12)21-20-22-16(11-30-20)10-29-19(25)14-7-13(18(24)28-2)8-17(9-14)23(26)27/h3-9,11H,10H2,1-2H3,(H,21,22)