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

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-acetamido-1,3-thiazole-4-carboxylate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-acetamidothiazole-4-carboxylate CAS Name: 2-acetamido-4-thiazolecarboxylic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 2-acetamido-1,3-thiazole-4-carboxylate Traditional Name: 2-acetamidothiazole-4-carboxylic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C18H21N5O5S2 MolecularWeight: 451.51984

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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)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O5S2/c1-3-4-7-23-15-6-5-12(30(19,26)27)8-13(15)21-16(23)9-28-17(25)14-10-29-18(22-14)20-11(2)24/h5-6,8,10H,3-4,7,9H2,1-2H3,(H2,19,26,27)(H,20,22,24)