diethyl 2,2-bis(1-benzothiophen-3-ylmethyl)propanedioate

Systemtic Name: diethyl 2,2-bis(1-benzothiophen-3-ylmethyl)propanedioate Openeye Name: diethyl 2,2-bis(benzothiophen-3-ylmethyl)propanedioate CAS Name: 2,2-bis(1-benzothiophen-3-ylmethyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2,2-bis(1-benzothiophen-3-ylmethyl)propanedioate Traditional Name: 2,2-bis(benzothiophen-3-ylmethyl)malonic acid diethyl ester Formula: C25H24O4S2 MolecularWeight: 452.58566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CSC2=CC=CC=C21)(CC3=CSC4=CC=CC=C43)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC1=CSC2=CC=CC=C21)(CC3=CSC4=CC=CC=C43)C(=O)OCC

InChI

InChI=1S/C25H24O4S2/c1-3-28-23(26)25(24(27)29-4-2,13-17-15-30-21-11-7-5-9-19(17)21)14-18-16-31-22-12-8-6-10-20(18)22/h5-12,15-16H,3-4,13-14H2,1-2H3