tert-butyl 3-[3-cyano-6-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyridin-2-yl]sulfanylpropanoate

Systemtic Name: tert-butyl 3-[3-cyano-6-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyridin-2-yl]sulfanylpropanoate Openeye Name: tert-butyl 3-[[3-cyano-6-methyl-5-(2-methylthiazol-4-yl)-2-pyridyl]sulfanyl]propanoate CAS Name: 3-[[3-cyano-6-methyl-5-(2-methyl-4-thiazolyl)-2-pyridinyl]thio]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-cyano-6-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyridin-2-yl]sulfanylpropanoate Traditional Name: 3-[[3-cyano-6-methyl-5-(2-methylthiazol-4-yl)-2-pyridyl]thio]propionic acid tert-butyl ester Formula: C18H21N3O2S2 MolecularWeight: 375.50824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCCC(=O)OC(C)(C)C)C#N)C2=CSC(=N2)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCCC(=O)OC(C)(C)C)C#N)C2=CSC(=N2)C

InChI

InChI=1S/C18H21N3O2S2/c1-11-14(15-10-25-12(2)21-15)8-13(9-19)17(20-11)24-7-6-16(22)23-18(3,4)5/h8,10H,6-7H2,1-5H3