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

Systemtic Name: methyl 2-[(2-methyl-4-thiocyanato-phenyl)sulfamoyl]benzoate Openeye Name: methyl 2-[(2-methyl-4-thiocyanato-phenyl)sulfamoyl]benzoate CAS Name: 2-[(2-methyl-4-thiocyanatophenyl)sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(2-methyl-4-thiocyanatophenyl)sulfamoyl]benzoate Traditional Name: 2-[(2-methyl-4-thiocyanato-phenyl)sulfamoyl]benzoic acid methyl ester Formula: C16H14N2O4S2 MolecularWeight: 362.42336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NS(=O)(=O)C2=CC=CC=C2C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NS(=O)(=O)C2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C16H14N2O4S2/c1-11-9-12(23-10-17)7-8-14(11)18-24(20,21)15-6-4-3-5-13(15)16(19)22-2/h3-9,18H,1-2H3