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

Systemtic Name: [6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 3,4-diethoxybenzoate Openeye Name: [6-[(4-methylthiazol-2-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic 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-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic acid [4-keto-6-[[(4-methylthiazol-2-yl)thio]methyl]pyran-3-yl] ester Formula: C21H21NO6S2 MolecularWeight: 447.52454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OC2=COC(=CC2=O)CSC3=NC(=CS3)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OC2=COC(=CC2=O)CSC3=NC(=CS3)C)OCC

InChI

InChI=1S/C21H21NO6S2/c1-4-25-17-7-6-14(8-18(17)26-5-2)20(24)28-19-10-27-15(9-16(19)23)12-30-21-22-13(3)11-29-21/h6-11H,4-5,12H2,1-3H3