methyl 4-(2-sulfanylidene-1,3-dihydroindol-3-yl)butanoate

Systemtic Name: methyl 4-(2-sulfanylidene-1,3-dihydroindol-3-yl)butanoate Openeye Name: methyl 4-(2-thioxoindolin-3-yl)butanoate CAS Name: 4-(2-sulfanylidene-1,3-dihydroindol-3-yl)butanoic acid methyl ester IUPAC Name: methyl 4-(2-sulfanylidene-1,3-dihydroindol-3-yl)butanoate Traditional Name: 4-(2-thioxoindolin-3-yl)butyric acid methyl ester Formula: C13H15NO2S MolecularWeight: 249.3287

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1C2=CC=CC=C2NC1=S

Isomeric SMILES

COC(=O)CCCC1C2=CC=CC=C2NC1=S

InChI

InChI=1S/C13H15NO2S/c1-16-12(15)8-4-6-10-9-5-2-3-7-11(9)14-13(10)17/h2-3,5,7,10H,4,6,8H2,1H3,(H,14,17)