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

Systemtic Name: methyl 2-[[(4-chloranyl-3-nitro-phenyl)sulfonyl-(3-ethoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[(4-chloro-3-nitro-phenyl)sulfonyl-(3-ethoxypropyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[(4-chloro-3-nitrophenyl)sulfonyl-(3-ethoxypropyl)amino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-chloro-3-nitrophenyl)sulfonyl-(3-ethoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-chloro-3-nitro-phenyl)sulfonyl-(3-ethoxypropyl)amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C17H20ClN3O7S2 MolecularWeight: 477.9396

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN(CC1=NC(=CS1)C(=O)OC)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOCCCN(CC1=NC(=CS1)C(=O)OC)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H20ClN3O7S2/c1-3-28-8-4-7-20(10-16-19-14(11-29-16)17(22)27-2)30(25,26)12-5-6-13(18)15(9-12)21(23)24/h5-6,9,11H,3-4,7-8,10H2,1-2H3