methyl 3-azanyl-2-chloranyl-6-thiocyanato-benzoate

Systemtic Name: methyl 3-azanyl-2-chloranyl-6-thiocyanato-benzoate Openeye Name: methyl 3-amino-2-chloro-6-thiocyanato-benzoate CAS Name: 3-amino-2-chloro-6-thiocyanatobenzoic acid methyl ester IUPAC Name: methyl 3-amino-2-chloro-6-thiocyanatobenzoate Traditional Name: 3-amino-2-chloro-6-thiocyanato-benzoic acid methyl ester Formula: C9H7ClN2O2S MolecularWeight: 242.68208

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1Cl)N)SC#N

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1Cl)N)SC#N

InChI

InChI=1S/C9H7ClN2O2S/c1-14-9(13)7-6(15-4-11)3-2-5(12)8(7)10/h2-3H,12H2,1H3