methyl 2-[(2,6-dimethyl-4-thiocyanato-phenyl)sulfamoyl]benzoate

Systemtic Name: methyl 2-[(2,6-dimethyl-4-thiocyanato-phenyl)sulfamoyl]benzoate Openeye Name: methyl 2-[(2,6-dimethyl-4-thiocyanato-phenyl)sulfamoyl]benzoate CAS Name: 2-[(2,6-dimethyl-4-thiocyanatophenyl)sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(2,6-dimethyl-4-thiocyanatophenyl)sulfamoyl]benzoate Traditional Name: 2-[(2,6-dimethyl-4-thiocyanato-phenyl)sulfamoyl]benzoic acid methyl ester Formula: C17H16N2O4S2 MolecularWeight: 376.44994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NS(=O)(=O)C2=CC=CC=C2C(=O)OC)C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NS(=O)(=O)C2=CC=CC=C2C(=O)OC)C)SC#N

InChI

InChI=1S/C17H16N2O4S2/c1-11-8-13(24-10-18)9-12(2)16(11)19-25(21,22)15-7-5-4-6-14(15)17(20)23-3/h4-9,19H,1-3H3