methyl 2-methyl-2-[(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)carbonylamino]propanoate

Systemtic Name: methyl 2-methyl-2-[(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)carbonylamino]propanoate Openeye Name: methyl 2-methyl-2-[[1-phenyl-5-(2-thienyl)-1,2,4-triazole-3-carbonyl]amino]propanoate CAS Name: 2-methyl-2-[[oxo-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-methyl-2-[(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)amino]propanoate Traditional Name: 2-methyl-2-[[1-phenyl-5-(2-thienyl)-1,2,4-triazole-3-carbonyl]amino]propionic acid methyl ester Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC)NC(=O)C1=NN(C(=N1)C2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C(=O)OC)NC(=O)C1=NN(C(=N1)C2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C18H18N4O3S/c1-18(2,17(24)25-3)20-16(23)14-19-15(13-10-7-11-26-13)22(21-14)12-8-5-4-6-9-12/h4-11H,1-3H3,(H,20,23)