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

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-(3-thienyl)thiazole-4-carboxylate CAS Name: 2-(3-thiophenyl)-4-thiazolecarboxylic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate Traditional Name: 2-(3-thienyl)thiazole-4-carboxylic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C20H20N4O4S3 MolecularWeight: 476.5922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)C3=CSC(=N3)C4=CSC=C4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)C3=CSC(=N3)C4=CSC=C4

InChI

InChI=1S/C20H20N4O4S3/c1-2-3-7-24-17-5-4-14(31(21,26)27)9-15(17)22-18(24)10-28-20(25)16-12-30-19(23-16)13-6-8-29-11-13/h4-6,8-9,11-12H,2-3,7,10H2,1H3,(H2,21,26,27)