(phenylmethyl) 4-bromanyl-3-ethoxy-1,1-bis(oxidanylidene)-1,2-thiazole-5-carboxylate

Systemtic Name: (phenylmethyl) 4-bromanyl-3-ethoxy-1,1-bis(oxidanylidene)-1,2-thiazole-5-carboxylate Openeye Name: benzyl 4-bromo-3-ethoxy-1,1-dioxo-isothiazole-5-carboxylate CAS Name: 4-bromo-3-ethoxy-1,1-dioxo-5-isothiazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-bromo-3-ethoxy-1,1-dioxo-1,2-thiazole-5-carboxylate Traditional Name: 4-bromo-3-ethoxy-1,1-diketo-isothiazole-5-carboxylic acid benzyl ester Formula: C13H12BrNO5S MolecularWeight: 374.20708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NS(=O)(=O)C(=C1Br)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC1=NS(=O)(=O)C(=C1Br)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C13H12BrNO5S/c1-2-19-12-10(14)11(21(17,18)15-12)13(16)20-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3