S-[(E)-4-phenylbut-1-en-3-ynyl] 4-methoxybenzenecarbothioate

Systemtic Name: S-[(E)-4-phenylbut-1-en-3-ynyl] 4-methoxybenzenecarbothioate Openeye Name: S-[(E)-4-phenylbut-1-en-3-ynyl] 4-methoxybenzenecarbothioate CAS Name: 4-methoxybenzenecarbothioic acid S-[(E)-4-phenylbut-1-en-3-ynyl] ester IUPAC Name: S-[(E)-4-phenylbut-1-en-3-ynyl] 4-methoxybenzenecarbothioate Traditional Name: 4-methoxythiobenzoic acid S-[(E)-4-phenylbut-1-en-3-ynyl] ester Formula: C18H14O2S MolecularWeight: 294.36756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)SC=CC#CC2=CC=CC=C2

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)S/C=C/C#CC2=CC=CC=C2

InChI

InChI=1S/C18H14O2S/c1-20-17-12-10-16(11-13-17)18(19)21-14-6-5-9-15-7-3-2-4-8-15/h2-4,6-8,10-14H,1H3/b14-6+