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

Systemtic Name: [6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 3-bromanylbenzoate Openeye Name: [6-[(4-methylthiazol-2-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] 3-bromobenzoate CAS Name: 3-bromobenzoic 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-bromobenzoate Traditional Name: 3-bromobenzoic acid [4-keto-6-[[(4-methylthiazol-2-yl)thio]methyl]pyran-3-yl] ester Formula: C17H12BrNO4S2 MolecularWeight: 438.31548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CSC(=N1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C17H12BrNO4S2/c1-10-8-24-17(19-10)25-9-13-6-14(20)15(7-22-13)23-16(21)11-3-2-4-12(18)5-11/h2-8H,9H2,1H3