4-methoxycarbothioylsulfanylbut-2-ynyl benzoate

Systemtic Name: 4-methoxycarbothioylsulfanylbut-2-ynyl benzoate Openeye Name: 4-methoxycarbothioylsulfanylbut-2-ynyl benzoate CAS Name: benzoic acid 4-[[methoxy(sulfanylidene)methyl]thio]but-2-ynyl ester IUPAC Name: 4-methoxycarbothioylsulfanylbut-2-ynyl benzoate Traditional Name: benzoic acid 4-(methoxycarbothioylthio)but-2-ynyl ester Formula: C13H12O3S2 MolecularWeight: 280.36258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=S)SCC#CCOC(=O)C1=CC=CC=C1

Isomeric SMILES

COC(=S)SCC#CCOC(=O)C1=CC=CC=C1

InChI

InChI=1S/C13H12O3S2/c1-15-13(17)18-10-6-5-9-16-12(14)11-7-3-2-4-8-11/h2-4,7-8H,9-10H2,1H3