(3-oxidanylidenecyclohexen-1-yl) 2-methoxy-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]benzoate

Systemtic Name: (3-oxidanylidenecyclohexen-1-yl) 2-methoxy-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]benzoate Openeye Name: (3-oxocyclohexen-1-yl) 2-methoxy-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoate CAS Name: 2-methoxy-4-[[(1-methyl-5-tetrazolyl)thio]methyl]benzoic acid (3-oxo-1-cyclohexenyl) ester IUPAC Name: (3-oxocyclohexen-1-yl) 2-methoxy-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoate Traditional Name: 2-methoxy-4-[[(1-methyltetrazol-5-yl)thio]methyl]benzoic acid (3-ketocyclohexen-1-yl) ester Formula: C17H18N4O4S MolecularWeight: 374.41422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=CC(=C(C=C2)C(=O)OC3=CC(=O)CCC3)OC

Isomeric SMILES

CN1C(=NN=N1)SCC2=CC(=C(C=C2)C(=O)OC3=CC(=O)CCC3)OC

InChI

InChI=1S/C17H18N4O4S/c1-21-17(18-19-20-21)26-10-11-6-7-14(15(8-11)24-2)16(23)25-13-5-3-4-12(22)9-13/h6-9H,3-5,10H2,1-2H3