methyl 2-methoxy-4-(methylamino)-5-thiocyanato-benzoate

Systemtic Name: methyl 2-methoxy-4-(methylamino)-5-thiocyanato-benzoate Openeye Name: methyl 2-methoxy-4-(methylamino)-5-thiocyanato-benzoate CAS Name: 2-methoxy-4-(methylamino)-5-thiocyanatobenzoic acid methyl ester IUPAC Name: methyl 2-methoxy-4-(methylamino)-5-thiocyanatobenzoate Traditional Name: 2-methoxy-4-(methylamino)-5-thiocyanato-benzoic acid methyl ester Formula: C11H12N2O3S MolecularWeight: 252.28958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C(=C1)OC)C(=O)OC)SC#N

Isomeric SMILES

CNC1=C(C=C(C(=C1)OC)C(=O)OC)SC#N

InChI

InChI=1S/C11H12N2O3S/c1-13-8-5-9(15-2)7(11(14)16-3)4-10(8)17-6-12/h4-5,13H,1-3H3