methyl 3-azanyl-2-thiocyanato-benzoate

Systemtic Name: methyl 3-azanyl-2-thiocyanato-benzoate Openeye Name: methyl 3-amino-2-thiocyanato-benzoate CAS Name: 3-amino-2-thiocyanatobenzoic acid methyl ester IUPAC Name: methyl 3-amino-2-thiocyanatobenzoate Traditional Name: 3-amino-2-thiocyanato-benzoic acid methyl ester Formula: C9H8N2O2S MolecularWeight: 208.23702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)N)SC#N

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)N)SC#N

InChI

InChI=1S/C9H8N2O2S/c1-13-9(12)6-3-2-4-7(11)8(6)14-5-10/h2-4H,11H2,1H3