ethyl 5-(1,3-dithian-2-yl)-1,3-benzodioxole-4-carboxylate

Systemtic Name: ethyl 5-(1,3-dithian-2-yl)-1,3-benzodioxole-4-carboxylate Openeye Name: ethyl 5-(1,3-dithian-2-yl)-1,3-benzodioxole-4-carboxylate CAS Name: 5-(1,3-dithian-2-yl)-1,3-benzodioxole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-dithian-2-yl)-1,3-benzodioxole-4-carboxylate Traditional Name: 5-(1,3-dithian-2-yl)-1,3-benzodioxole-4-carboxylic acid ethyl ester Formula: C14H16O4S2 MolecularWeight: 312.40444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC2=C1OCO2)C3SCCCS3

Isomeric SMILES

CCOC(=O)C1=C(C=CC2=C1OCO2)C3SCCCS3

InChI

InChI=1S/C14H16O4S2/c1-2-16-13(15)11-9(14-19-6-3-7-20-14)4-5-10-12(11)18-8-17-10/h4-5,14H,2-3,6-8H2,1H3