propan-2-yl 5-azanyl-2-thiocyanato-benzoate

Systemtic Name: propan-2-yl 5-azanyl-2-thiocyanato-benzoate Openeye Name: isopropyl 5-amino-2-thiocyanato-benzoate CAS Name: 5-amino-2-thiocyanatobenzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-amino-2-thiocyanatobenzoate Traditional Name: 5-amino-2-thiocyanato-benzoic acid isopropyl ester Formula: C11H12N2O2S MolecularWeight: 236.29018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O2S/c1-7(2)15-11(14)9-5-8(13)3-4-10(9)16-6-12/h3-5,7H,13H2,1-2H3