[4-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl] benzoate

Systemtic Name: [4-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl] benzoate Openeye Name: [4-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl] benzoate CAS Name: benzoic acid [4-[(1,3-benzoxazol-2-ylthio)methyl]phenyl] ester IUPAC Name: [4-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl] benzoate Traditional Name: benzoic acid [4-[(1,3-benzoxazol-2-ylthio)methyl]phenyl] ester Formula: C21H15NO3S MolecularWeight: 361.4137

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H15NO3S/c23-20(16-6-2-1-3-7-16)24-17-12-10-15(11-13-17)14-26-21-22-18-8-4-5-9-19(18)25-21/h1-13H,14H2