methyl 3-chloranyl-4-isothiocyanato-benzoate

Systemtic Name: methyl 3-chloranyl-4-isothiocyanato-benzoate Openeye Name: methyl 3-chloro-4-isothiocyanato-benzoate CAS Name: 3-chloro-4-isothiocyanatobenzoic acid methyl ester IUPAC Name: methyl 3-chloro-4-isothiocyanatobenzoate Traditional Name: 3-chloro-4-isothiocyanato-benzoic acid methyl ester Formula: C9H6ClNO2S MolecularWeight: 227.66744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N=C=S)Cl

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N=C=S)Cl

InChI

InChI=1S/C9H6ClNO2S/c1-13-9(12)6-2-3-8(11-5-14)7(10)4-6/h2-4H,1H3