diethyl 2-[4-(3-methylthiophen-2-yl)phenyl]propanedioate

Systemtic Name: diethyl 2-[4-(3-methylthiophen-2-yl)phenyl]propanedioate Openeye Name: diethyl 2-[4-(3-methyl-2-thienyl)phenyl]propanedioate CAS Name: 2-[4-(3-methyl-2-thiophenyl)phenyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[4-(3-methylthiophen-2-yl)phenyl]propanedioate Traditional Name: 2-[4-(3-methyl-2-thienyl)phenyl]malonic acid diethyl ester Formula: C18H20O4S MolecularWeight: 332.414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=C(C=C1)C2=C(C=CS2)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1=CC=C(C=C1)C2=C(C=CS2)C)C(=O)OCC

InChI

InChI=1S/C18H20O4S/c1-4-21-17(19)15(18(20)22-5-2)13-6-8-14(9-7-13)16-12(3)10-11-23-16/h6-11,15H,4-5H2,1-3H3