(3-isothiocyanatophenyl) 4-methylbenzoate

Systemtic Name: (3-isothiocyanatophenyl) 4-methylbenzoate Openeye Name: (3-isothiocyanatophenyl) 4-methylbenzoate CAS Name: 4-methylbenzoic acid (3-isothiocyanatophenyl) ester IUPAC Name: (3-isothiocyanatophenyl) 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (3-isothiocyanatophenyl) ester Formula: C15H11NO2S MolecularWeight: 269.31834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)N=C=S

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)N=C=S

InChI

InChI=1S/C15H11NO2S/c1-11-5-7-12(8-6-11)15(17)18-14-4-2-3-13(9-14)16-10-19/h2-9H,1H3