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

Systemtic Name: ethyl 4-(2-methylpropyl)-2-[(2-phenyl-1,2,3-triazol-4-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-isobutyl-2-[(2-phenyltriazole-4-carbonyl)amino]thiophene-3-carboxylate CAS Name: 4-(2-methylpropyl)-2-[[oxo-(2-phenyl-4-triazolyl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-methylpropyl)-2-[(2-phenyltriazole-4-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 4-isobutyl-2-[(2-phenyltriazole-4-carbonyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H22N4O3S MolecularWeight: 398.47868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)C2=NN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)C2=NN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H22N4O3S/c1-4-27-20(26)17-14(10-13(2)3)12-28-19(17)22-18(25)16-11-21-24(23-16)15-8-6-5-7-9-15/h5-9,11-13H,4,10H2,1-3H3,(H,22,25)