ethyl 2-[2-(2-nitro-4-sulfamoyl-phenyl)sulfanyl-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-(2-nitro-4-sulfamoyl-phenyl)sulfanyl-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-(2-nitro-4-sulfamoyl-phenyl)sulfanylthiazol-4-yl]acetate CAS Name: 2-[2-[(2-nitro-4-sulfamoylphenyl)thio]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-nitro-4-sulfamoylphenyl)sulfanyl-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[(2-nitro-4-sulfamoyl-phenyl)thio]thiazol-4-yl]acetic acid ethyl ester Formula: C13H13N3O6S3 MolecularWeight: 403.45382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)SC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)SC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O6S3/c1-2-22-12(17)5-8-7-23-13(15-8)24-11-4-3-9(25(14,20)21)6-10(11)16(18)19/h3-4,6-7H,2,5H2,1H3,(H2,14,20,21)