methyl 2-azanyl-5-thiocyanato-benzoate

Systemtic Name: methyl 2-azanyl-5-thiocyanato-benzoate Openeye Name: methyl 2-amino-5-thiocyanato-benzoate CAS Name: 2-amino-5-thiocyanatobenzoic acid methyl ester IUPAC Name: methyl 2-amino-5-thiocyanatobenzoate Traditional Name: 2-amino-5-thiocyanato-benzoic acid methyl ester Formula: C9H8N2O2S MolecularWeight: 208.23702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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