[6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 2-ethylbutanoate

Systemtic Name: [6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 2-ethylbutanoate Openeye Name: [6-[(4-methylthiazol-2-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] 2-ethylbutanoate CAS Name: 2-ethylbutanoic acid [6-[[(4-methyl-2-thiazolyl)thio]methyl]-4-oxo-3-pyranyl] ester IUPAC Name: [6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 2-ethylbutanoate Traditional Name: 2-ethylbutyric acid [4-keto-6-[[(4-methylthiazol-2-yl)thio]methyl]pyran-3-yl] ester Formula: C16H19NO4S2 MolecularWeight: 353.45636

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)OC1=COC(=CC1=O)CSC2=NC(=CS2)C

Isomeric SMILES

CCC(CC)C(=O)OC1=COC(=CC1=O)CSC2=NC(=CS2)C

InChI

InChI=1S/C16H19NO4S2/c1-4-11(5-2)15(19)21-14-7-20-12(6-13(14)18)9-23-16-17-10(3)8-22-16/h6-8,11H,4-5,9H2,1-3H3