S-(phenylmethyl) 1,3-benzodioxole-5-carbothioate

Systemtic Name: S-(phenylmethyl) 1,3-benzodioxole-5-carbothioate Openeye Name: S-benzyl 1,3-benzodioxole-5-carbothioate CAS Name: 1,3-benzodioxole-5-carbothioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl 1,3-benzodioxole-5-carbothioate Traditional Name: 1,3-benzodioxole-5-carbothioic acid S-benzyl ester Formula: C15H12O3S MolecularWeight: 272.31898

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)SCC3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)SCC3=CC=CC=C3

InChI

InChI=1S/C15H12O3S/c16-15(19-9-11-4-2-1-3-5-11)12-6-7-13-14(8-12)18-10-17-13/h1-8H,9-10H2