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

Systemtic Name: ethyl 4-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-2-(4-methyl-3H-1,3-thiazol-2-ylidene)-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(4-methyl-3H-thiazol-2-ylidene)-3-oxo-butanoate CAS Name: 4-[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-2-(4-methyl-3H-thiazol-2-ylidene)-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-2-(4-methyl-3H-1,3-thiazol-2-ylidene)-3-oxobutanoate Traditional Name: 4-[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]-3-keto-2-(4-methyl-4-thiazolin-2-ylidene)butyric acid ethyl ester Formula: C20H27N5O3S2 MolecularWeight: 449.59008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1NC(=CS1)C)C(=O)CSC2=NN=C(N2C3CC3)N4CCCCC4

Isomeric SMILES

CCOC(=O)C(=C1NC(=CS1)C)C(=O)CSC2=NN=C(N2C3CC3)N4CCCCC4

InChI

InChI=1S/C20H27N5O3S2/c1-3-28-18(27)16(17-21-13(2)11-29-17)15(26)12-30-20-23-22-19(25(20)14-7-8-14)24-9-5-4-6-10-24/h11,14,21H,3-10,12H2,1-2H3