(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 4-methyl-2-(2-thienyl)thiazole-5-carboxylate CAS Name: 4-methyl-2-thiophen-2-yl-5-thiazolecarboxylic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-(2-thienyl)thiazole-5-carboxylic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C21H22N4O4S3 MolecularWeight: 490.61878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)C3=C(N=C(S3)C4=CC=CS4)C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)C3=C(N=C(S3)C4=CC=CS4)C

InChI

InChI=1S/C21H22N4O4S3/c1-3-4-9-25-16-8-7-14(32(22,27)28)11-15(16)24-18(25)12-29-21(26)19-13(2)23-20(31-19)17-6-5-10-30-17/h5-8,10-11H,3-4,9,12H2,1-2H3,(H2,22,27,28)