ethyl 5-(4-bromophenyl)-6-hexyl-1,1-bis(oxidanylidene)-1,2,6-thiadiazine-3-carboxylate

Systemtic Name: ethyl 5-(4-bromophenyl)-6-hexyl-1,1-bis(oxidanylidene)-1,2,6-thiadiazine-3-carboxylate Openeye Name: ethyl 5-(4-bromophenyl)-6-hexyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate CAS Name: 5-(4-bromophenyl)-6-hexyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-bromophenyl)-6-hexyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate Traditional Name: 5-(4-bromophenyl)-6-hexyl-1,1-diketo-1,2,6-thiadiazine-3-carboxylic acid ethyl ester Formula: C18H23BrN2O4S MolecularWeight: 443.35522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=CC(=NS1(=O)=O)C(=O)OCC)C2=CC=C(C=C2)Br

Isomeric SMILES

CCCCCCN1C(=CC(=NS1(=O)=O)C(=O)OCC)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H23BrN2O4S/c1-3-5-6-7-12-21-17(14-8-10-15(19)11-9-14)13-16(18(22)25-4-2)20-26(21,23)24/h8-11,13H,3-7,12H2,1-2H3