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

Systemtic Name: [6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 4-butoxybenzoate Openeye Name: [6-[(4-methylthiazol-2-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic 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] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [4-keto-6-[[(4-methylthiazol-2-yl)thio]methyl]pyran-3-yl] ester Formula: C21H21NO5S2 MolecularWeight: 431.52514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC2=COC(=CC2=O)CSC3=NC(=CS3)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC2=COC(=CC2=O)CSC3=NC(=CS3)C

InChI

InChI=1S/C21H21NO5S2/c1-3-4-9-25-16-7-5-15(6-8-16)20(24)27-19-11-26-17(10-18(19)23)13-29-21-22-14(2)12-28-21/h5-8,10-12H,3-4,9,13H2,1-2H3