ethyl 4-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(4-methylthiazol-2-yl)-3-oxo-butanoate CAS Name: 4-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-2-(4-methyl-2-thiazolyl)-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-(4-methyl-1,3-thiazol-2-yl)-3-oxobutanoate Traditional Name: 4-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-3-keto-2-(4-methylthiazol-2-yl)butyric acid ethyl ester Formula: C18H20N4O3S3 MolecularWeight: 436.5714

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C(C2=NC(=CS2)C)C(=O)OCC)C3=CC=CS3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C(C2=NC(=CS2)C)C(=O)OCC)C3=CC=CS3

InChI

InChI=1S/C18H20N4O3S3/c1-4-22-15(13-7-6-8-26-13)20-21-18(22)28-10-12(23)14(17(24)25-5-2)16-19-11(3)9-27-16/h6-9,14H,4-5,10H2,1-3H3