3-methyl-4-oxidanylidene-4-[5-(1,2,4-triazol-1-yl)thiophen-2-yl]butanoic acid

Systemtic Name: 3-methyl-4-oxidanylidene-4-[5-(1,2,4-triazol-1-yl)thiophen-2-yl]butanoic acid Openeye Name: 3-methyl-4-oxo-4-[5-(1,2,4-triazol-1-yl)-2-thienyl]butanoic acid CAS Name: 3-methyl-4-oxo-4-[5-(1,2,4-triazol-1-yl)-2-thiophenyl]butanoic acid IUPAC Name: 3-methyl-4-oxo-4-[5-(1,2,4-triazol-1-yl)thiophen-2-yl]butanoic acid Traditional Name: 4-keto-3-methyl-4-[5-(1,2,4-triazol-1-yl)-2-thienyl]butyric acid Formula: C11H11N3O3S MolecularWeight: 265.28834

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)C(=O)C1=CC=C(S1)N2C=NC=N2

Isomeric SMILES

CC(CC(=O)O)C(=O)C1=CC=C(S1)N2C=NC=N2

InChI

InChI=1S/C11H11N3O3S/c1-7(4-10(15)16)11(17)8-2-3-9(18-8)14-6-12-5-13-14/h2-3,5-7H,4H2,1H3,(H,15,16)