propan-2-yl 2-chloranyl-5-isothiocyanato-benzoate

Systemtic Name: propan-2-yl 2-chloranyl-5-isothiocyanato-benzoate Openeye Name: isopropyl 2-chloro-5-isothiocyanato-benzoate CAS Name: 2-chloro-5-isothiocyanatobenzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-chloro-5-isothiocyanatobenzoate Traditional Name: 2-chloro-5-isothiocyanato-benzoic acid isopropyl ester Formula: C11H10ClNO2S MolecularWeight: 255.7206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10ClNO2S/c1-7(2)15-11(14)9-5-8(13-6-16)3-4-10(9)12/h3-5,7H,1-2H3