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

Systemtic Name: [6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 4-ethoxybenzoate Openeye Name: [6-[(4-methylthiazol-2-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic 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-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [4-keto-6-[[(4-methylthiazol-2-yl)thio]methyl]pyran-3-yl] ester Formula: C19H17NO5S2 MolecularWeight: 403.47198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17NO5S2/c1-3-23-14-6-4-13(5-7-14)18(22)25-17-9-24-15(8-16(17)21)11-27-19-20-12(2)10-26-19/h4-10H,3,11H2,1-2H3