methyl 3-chloranyl-2-[(5-methyl-4-methylsulfanyl-1,3-thiazol-2-yl)carbonylsulfamoyl]benzoate

Systemtic Name: methyl 3-chloranyl-2-[(5-methyl-4-methylsulfanyl-1,3-thiazol-2-yl)carbonylsulfamoyl]benzoate Openeye Name: methyl 3-chloro-2-[(5-methyl-4-methylsulfanyl-thiazole-2-carbonyl)sulfamoyl]benzoate CAS Name: 3-chloro-2-[[[5-methyl-4-(methylthio)-2-thiazolyl]-oxomethyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 3-chloro-2-[(5-methyl-4-methylsulfanyl-1,3-thiazole-2-carbonyl)sulfamoyl]benzoate Traditional Name: 3-chloro-2-[[5-methyl-4-(methylthio)thiazole-2-carbonyl]sulfamoyl]benzoic acid methyl ester Formula: C14H13ClN2O5S3 MolecularWeight: 420.91142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)C(=O)NS(=O)(=O)C2=C(C=CC=C2Cl)C(=O)OC)SC

Isomeric SMILES

CC1=C(N=C(S1)C(=O)NS(=O)(=O)C2=C(C=CC=C2Cl)C(=O)OC)SC

InChI

InChI=1S/C14H13ClN2O5S3/c1-7-12(23-3)16-13(24-7)11(18)17-25(20,21)10-8(14(19)22-2)5-4-6-9(10)15/h4-6H,1-3H3,(H,17,18)