ethyl 4-(3-butoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-(3-butoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[3-butoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]-4-oxo-butanoate CAS Name: 4-(3-butoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(3-butoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-4-oxobutanoate Traditional Name: 4-[3-butoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]-4-keto-butyric acid ethyl ester Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NN(C(=N1)C2=CC=CS2)C(=O)CCC(=O)OCC

Isomeric SMILES

CCCCOC1=NN(C(=N1)C2=CC=CS2)C(=O)CCC(=O)OCC

InChI

InChI=1S/C16H21N3O4S/c1-3-5-10-23-16-17-15(12-7-6-11-24-12)19(18-16)13(20)8-9-14(21)22-4-2/h6-7,11H,3-5,8-10H2,1-2H3