O2-ethyl O4-methyl 5-[2-(3H-benzimidazol-5-ylcarbonyloxy)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-methyl 5-[2-(3H-benzimidazol-5-ylcarbonyloxy)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 5-[2-(3H-benzimidazole-5-carbonyloxy)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[3H-benzimidazol-5-yl(oxo)methoxy]-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester IUPAC Name: 2-O-ethyl 4-O-methyl 5-[2-(3H-benzimidazole-5-carbonyloxy)propanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[2-(3H-benzimidazole-5-carbonyloxy)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester Formula: C21H21N3O7S MolecularWeight: 459.47234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C)OC(=O)C2=CC3=C(C=C2)N=CN3)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C)OC(=O)C2=CC3=C(C=C2)N=CN3)C(=O)OC)C

InChI

InChI=1S/C21H21N3O7S/c1-5-30-21(28)16-10(2)15(20(27)29-4)18(32-16)24-17(25)11(3)31-19(26)12-6-7-13-14(8-12)23-9-22-13/h6-9,11H,5H2,1-4H3,(H,22,23)(H,24,25)