ethyl 3-chloranyl-4-isothiocyanato-benzoate

Systemtic Name: ethyl 3-chloranyl-4-isothiocyanato-benzoate Openeye Name: ethyl 3-chloro-4-isothiocyanato-benzoate CAS Name: 3-chloro-4-isothiocyanatobenzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-isothiocyanatobenzoate Traditional Name: 3-chloro-4-isothiocyanato-benzoic acid ethyl ester Formula: C10H8ClNO2S MolecularWeight: 241.69402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8ClNO2S/c1-2-14-10(13)7-3-4-9(12-6-15)8(11)5-7/h3-5H,2H2,1H3