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

Systemtic Name: ethyl 4-oxidanylidene-4-(3-propan-2-yloxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)butanoate Openeye Name: ethyl 4-[3-isopropoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]-4-oxo-butanoate CAS Name: 4-oxo-4-(3-propan-2-yloxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)butanoic acid ethyl ester IUPAC Name: ethyl 4-oxo-4-(3-propan-2-yloxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)butanoate Traditional Name: 4-[3-isopropoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]-4-keto-butyric acid ethyl ester Formula: C15H19N3O4S MolecularWeight: 337.39406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N1C(=NC(=N1)OC(C)C)C2=CC=CS2

Isomeric SMILES

CCOC(=O)CCC(=O)N1C(=NC(=N1)OC(C)C)C2=CC=CS2

InChI

InChI=1S/C15H19N3O4S/c1-4-21-13(20)8-7-12(19)18-14(11-6-5-9-23-11)16-15(17-18)22-10(2)3/h5-6,9-10H,4,7-8H2,1-3H3