(4,6-dimethoxy-1,3,5-triazin-2-yl) 3-bromanyl-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylate

Systemtic Name: (4,6-dimethoxy-1,3,5-triazin-2-yl) 3-bromanyl-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylate Openeye Name: (4,6-dimethoxy-1,3,5-triazin-2-yl) 3-bromo-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylate CAS Name: 3-bromo-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylic acid (4,6-dimethoxy-1,3,5-triazin-2-yl) ester IUPAC Name: (4,6-dimethoxy-1,3,5-triazin-2-yl) 3-bromo-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylate Traditional Name: 3-bromo-4,5,6,7-tetrahydroisobenzothiophene-1-carboxylic acid (4,6-dimethoxy-s-triazin-2-yl) ester Formula: C14H14BrN3O4S MolecularWeight: 400.24766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=N1)OC(=O)C2=C3CCCCC3=C(S2)Br)OC

Isomeric SMILES

COC1=NC(=NC(=N1)OC(=O)C2=C3CCCCC3=C(S2)Br)OC

InChI

InChI=1S/C14H14BrN3O4S/c1-20-12-16-13(21-2)18-14(17-12)22-11(19)9-7-5-3-4-6-8(7)10(15)23-9/h3-6H2,1-2H3