diethyl 2-(1-benzothiophen-2-ylmethyl)-2-methyl-propanedioate

Systemtic Name: diethyl 2-(1-benzothiophen-2-ylmethyl)-2-methyl-propanedioate Openeye Name: diethyl 2-(benzothiophen-2-ylmethyl)-2-methyl-propanedioate CAS Name: 2-(1-benzothiophen-2-ylmethyl)-2-methylpropanedioic acid diethyl ester IUPAC Name: diethyl 2-(1-benzothiophen-2-ylmethyl)-2-methylpropanedioate Traditional Name: 2-(benzothiophen-2-ylmethyl)-2-methyl-malonic acid diethyl ester Formula: C17H20O4S MolecularWeight: 320.4033

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(CC1=CC2=CC=CC=C2S1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C)(CC1=CC2=CC=CC=C2S1)C(=O)OCC

InChI

InChI=1S/C17H20O4S/c1-4-20-15(18)17(3,16(19)21-5-2)11-13-10-12-8-6-7-9-14(12)22-13/h6-10H,4-5,11H2,1-3H3