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

Systemtic Name: ethyl 4-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-(4-methylthiazol-2-yl)-3-oxo-butanoate CAS Name: 4-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-2-(4-methyl-2-thiazolyl)-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-(4-methyl-1,3-thiazol-2-yl)-3-oxobutanoate Traditional Name: 4-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-3-keto-2-(4-methylthiazol-2-yl)butyric acid ethyl ester Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=NC(=CS1)C)C(=O)CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C(C1=NC(=CS1)C)C(=O)CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O3S2/c1-3-28-20(27)17(19-22-13(2)11-29-19)16(26)12-30-21-23-18(14-9-10-14)25(24-21)15-7-5-4-6-8-15/h4-8,11,14,17H,3,9-10,12H2,1-2H3