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

Systemtic Name: ethyl 2-[[(4-chloranyl-3-nitro-phenyl)sulfonyl-cyclopropyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(4-chloro-3-nitro-phenyl)sulfonyl-cyclopropyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[(4-chloro-3-nitrophenyl)sulfonyl-cyclopropylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(4-chloro-3-nitrophenyl)sulfonyl-cyclopropylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-chloro-3-nitro-phenyl)sulfonyl-cyclopropyl-amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C16H16ClN3O6S2 MolecularWeight: 445.89774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CN(C2CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN(C2CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H16ClN3O6S2/c1-2-26-16(21)13-9-27-15(18-13)8-19(10-3-4-10)28(24,25)11-5-6-12(17)14(7-11)20(22)23/h5-7,9-10H,2-4,8H2,1H3