[2-[(2-bromanyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate

Systemtic Name: [2-[(2-bromanyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate Openeye Name: [2-(2-bromo-4-thiocyanato-anilino)-2-oxo-ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate CAS Name: 2,3-dihydro-1,4-dioxin-5-carboxylic acid [2-(2-bromo-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-thiocyanatoanilino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate Traditional Name: 2,3-dihydro-p-dioxin-5-carboxylic acid [2-(2-bromo-4-thiocyanato-anilino)-2-keto-ethyl] ester Formula: C14H11BrN2O5S MolecularWeight: 399.21654

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=CO1)C(=O)OCC(=O)NC2=C(C=C(C=C2)SC#N)Br

Isomeric SMILES

C1COC(=CO1)C(=O)OCC(=O)NC2=C(C=C(C=C2)SC#N)Br

InChI

InChI=1S/C14H11BrN2O5S/c15-10-5-9(23-8-16)1-2-11(10)17-13(18)7-22-14(19)12-6-20-3-4-21-12/h1-2,5-6H,3-4,7H2,(H,17,18)