methyl 2-(3-methylbutoxy)-1,3-benzodithiole-4-carboxylate

Systemtic Name: methyl 2-(3-methylbutoxy)-1,3-benzodithiole-4-carboxylate Openeye Name: methyl 2-isopentyloxy-1,3-benzodithiole-4-carboxylate CAS Name: 2-(3-methylbutoxy)-1,3-benzodithiole-4-carboxylic acid methyl ester IUPAC Name: methyl 2-(3-methylbutoxy)-1,3-benzodithiole-4-carboxylate Traditional Name: 2-isoamoxy-1,3-benzodithiole-4-carboxylic acid methyl ester Formula: C14H18O3S2 MolecularWeight: 298.42092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1SC2=CC=CC(=C2S1)C(=O)OC

Isomeric SMILES

CC(C)CCOC1SC2=CC=CC(=C2S1)C(=O)OC

InChI

InChI=1S/C14H18O3S2/c1-9(2)7-8-17-14-18-11-6-4-5-10(12(11)19-14)13(15)16-3/h4-6,9,14H,7-8H2,1-3H3