[3-(dimethylsulfamoyl)phenyl]methyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitro-benzoate

Systemtic Name: [3-(dimethylsulfamoyl)phenyl]methyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitro-benzoate Openeye Name: [3-(dimethylsulfamoyl)phenyl]methyl 2-(4-methylthiazol-2-yl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(4-methyl-2-thiazolyl)thio]-5-nitrobenzoic acid [3-(dimethylsulfamoyl)phenyl]methyl ester IUPAC Name: [3-(dimethylsulfamoyl)phenyl]methyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitrobenzoate Traditional Name: 2-[(4-methylthiazol-2-yl)thio]-5-nitro-benzoic acid [3-(dimethylsulfamoyl)benzyl] ester Formula: C20H19N3O6S3 MolecularWeight: 493.57636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N(C)C

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N(C)C

InChI

InChI=1S/C20H19N3O6S3/c1-13-12-30-20(21-13)31-18-8-7-15(23(25)26)10-17(18)19(24)29-11-14-5-4-6-16(9-14)32(27,28)22(2)3/h4-10,12H,11H2,1-3H3