ethyl 4-[[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]methyl]-1,3-thiazole-2-carboxylate

Systemtic Name: ethyl 4-[[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]methyl]-1,3-thiazole-2-carboxylate Openeye Name: ethyl 4-[[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]methyl]thiazole-2-carboxylate CAS Name: 4-[[(2-chloro-5-nitrophenyl)methyl-methylamino]methyl]-2-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(2-chloro-5-nitrophenyl)methyl-methylamino]methyl]-1,3-thiazole-2-carboxylate Traditional Name: 4-[[(2-chloro-5-nitro-benzyl)-methyl-amino]methyl]thiazole-2-carboxylic acid ethyl ester Formula: C15H16ClN3O4S MolecularWeight: 369.82324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=CS1)CN(C)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)C1=NC(=CS1)CN(C)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H16ClN3O4S/c1-3-23-15(20)14-17-11(9-24-14)8-18(2)7-10-6-12(19(21)22)4-5-13(10)16/h4-6,9H,3,7-8H2,1-2H3