S-(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl) 3-methylbenzenecarbothioate

Systemtic Name: S-(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl) 3-methylbenzenecarbothioate Openeye Name: S-(7-oxocyclohepta-1,3,5-trien-1-yl) 3-methylbenzenecarbothioate CAS Name: 3-methylbenzenecarbothioic acid S-(7-oxo-1-cyclohepta-1,3,5-trienyl) ester IUPAC Name: S-(7-oxocyclohepta-1,3,5-trien-1-yl) 3-methylbenzenecarbothioate Traditional Name: 3-methylthiobenzoic acid S-(7-ketocyclohepta-1,3,5-trien-1-yl) ester Formula: C15H12O2S MolecularWeight: 256.31958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)SC2=CC=CC=CC2=O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)SC2=CC=CC=CC2=O

InChI

InChI=1S/C15H12O2S/c1-11-6-5-7-12(10-11)15(17)18-14-9-4-2-3-8-13(14)16/h2-10H,1H3