[6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 3,5-dimethylbenzoate

Systemtic Name: [6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 3,5-dimethylbenzoate Openeye Name: [6-[(4-methylthiazol-2-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic 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] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [4-keto-6-[[(4-methylthiazol-2-yl)thio]methyl]pyran-3-yl] ester Formula: C19H17NO4S2 MolecularWeight: 387.47258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OC2=COC(=CC2=O)CSC3=NC(=CS3)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OC2=COC(=CC2=O)CSC3=NC(=CS3)C)C

InChI

InChI=1S/C19H17NO4S2/c1-11-4-12(2)6-14(5-11)18(22)24-17-8-23-15(7-16(17)21)10-26-19-20-13(3)9-25-19/h4-9H,10H2,1-3H3