ethyl 4-phenyl-2-[[4-(1,2,3,4-tetrazol-1-yl)phenyl]carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-phenyl-2-[[4-(1,2,3,4-tetrazol-1-yl)phenyl]carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-phenyl-2-[[4-(tetrazol-1-yl)benzoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[oxo-[4-(1-tetrazolyl)phenyl]methyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-phenyl-2-[[4-(tetrazol-1-yl)benzoyl]amino]thiophene-3-carboxylate Traditional Name: 4-phenyl-2-[[4-(tetrazol-1-yl)benzoyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H17N5O3S MolecularWeight: 419.45638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)N4C=NN=N4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)N4C=NN=N4

InChI

InChI=1S/C21H17N5O3S/c1-2-29-21(28)18-17(14-6-4-3-5-7-14)12-30-20(18)23-19(27)15-8-10-16(11-9-15)26-13-22-24-25-26/h3-13H,2H2,1H3,(H,23,27)