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

Systemtic Name: [6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 3,4,5-triethoxybenzoate Openeye Name: [6-[(4-methylthiazol-2-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] 3,4,5-triethoxybenzoate CAS Name: 3,4,5-triethoxybenzoic 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] 3,4,5-triethoxybenzoate Traditional Name: 3,4,5-triethoxybenzoic acid [4-keto-6-[[(4-methylthiazol-2-yl)thio]methyl]pyran-3-yl] ester Formula: C23H25NO7S2 MolecularWeight: 491.5771

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OC2=COC(=CC2=O)CSC3=NC(=CS3)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OC2=COC(=CC2=O)CSC3=NC(=CS3)C

InChI

InChI=1S/C23H25NO7S2/c1-5-27-18-8-15(9-19(28-6-2)21(18)29-7-3)22(26)31-20-11-30-16(10-17(20)25)13-33-23-24-14(4)12-32-23/h8-12H,5-7,13H2,1-4H3