3,3-dimethoxy-4-(3-methoxycarbonylthiophen-2-yl)butanoate

Systemtic Name: 3,3-dimethoxy-4-(3-methoxycarbonylthiophen-2-yl)butanoate Openeye Name: 3,3-dimethoxy-4-(3-methoxycarbonyl-2-thienyl)butanoate CAS Name: 3,3-dimethoxy-4-(3-methoxycarbonyl-2-thiophenyl)butanoate IUPAC Name: 3,3-dimethoxy-4-(3-methoxycarbonylthiophen-2-yl)butanoate Traditional Name: 4-(3-carbomethoxy-2-thienyl)-3,3-dimethoxy-butyrate Formula: C12H15O6S- MolecularWeight: 287.3089

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1)CC(CC(=O)[O-])(OC)OC

Isomeric SMILES

COC(=O)C1=C(SC=C1)CC(CC(=O)[O-])(OC)OC

InChI

InChI=1S/C12H16O6S/c1-16-11(15)8-4-5-19-9(8)6-12(17-2,18-3)7-10(13)14/h4-5H,6-7H2,1-3H3,(H,13,14)/p-1