ethyl 4-[(4-cyclopropyl-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-cyclopropyl-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-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(4-methylthiazol-2-yl)-3-oxo-butanoate CAS Name: 4-[(4-cyclopropyl-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-cyclopropyl-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-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-3-keto-2-(4-methylthiazol-2-yl)butyric acid ethyl ester Formula: C19H20N4O3S3 MolecularWeight: 448.5821

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=NC(=CS1)C)C(=O)CSC2=NN=C(N2C3CC3)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C(C1=NC(=CS1)C)C(=O)CSC2=NN=C(N2C3CC3)C4=CC=CS4

InChI

InChI=1S/C19H20N4O3S3/c1-3-26-18(25)15(17-20-11(2)9-28-17)13(24)10-29-19-22-21-16(14-5-4-8-27-14)23(19)12-6-7-12/h4-5,8-9,12,15H,3,6-7,10H2,1-2H3