ethyl 5-(3,4-dimethoxyphenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]carbonylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 5-(3,4-dimethoxyphenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-(3,4-dimethoxyphenyl)-3-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]thiophene-2-carboxylate CAS Name: 5-(3,4-dimethoxyphenyl)-3-[[oxo-[4-(1-pyrazolylmethyl)phenyl]methyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(3,4-dimethoxyphenyl)-3-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]thiophene-2-carboxylate Traditional Name: 5-(3,4-dimethoxyphenyl)-3-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C26H25N3O5S MolecularWeight: 491.5588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC(=C(C=C2)OC)OC)NC(=O)C3=CC=C(C=C3)CN4C=CC=N4

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC(=C(C=C2)OC)OC)NC(=O)C3=CC=C(C=C3)CN4C=CC=N4

InChI

InChI=1S/C26H25N3O5S/c1-4-34-26(31)24-20(15-23(35-24)19-10-11-21(32-2)22(14-19)33-3)28-25(30)18-8-6-17(7-9-18)16-29-13-5-12-27-29/h5-15H,4,16H2,1-3H3,(H,28,30)