dimethyl 2-[(Z)-3-[2-cyano-5-(thiophen-3-ylmethoxy)phenyl]-2-phenyl-prop-2-enyl]propanedioate

Systemtic Name: dimethyl 2-[(Z)-3-[2-cyano-5-(thiophen-3-ylmethoxy)phenyl]-2-phenyl-prop-2-enyl]propanedioate Openeye Name: dimethyl 2-[(Z)-3-[2-cyano-5-(3-thienylmethoxy)phenyl]-2-phenyl-allyl]propanedioate CAS Name: 2-[(Z)-3-[2-cyano-5-(3-thiophenylmethoxy)phenyl]-2-phenylprop-2-enyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(Z)-3-[2-cyano-5-(thiophen-3-ylmethoxy)phenyl]-2-phenylprop-2-enyl]propanedioate Traditional Name: 2-[(Z)-3-[2-cyano-5-(3-thenyloxy)phenyl]-2-phenyl-allyl]malonic acid dimethyl ester Formula: C26H23NO5S MolecularWeight: 461.52952

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(=CC1=C(C=CC(=C1)OCC2=CSC=C2)C#N)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C(C/C(=C/C1=C(C=CC(=C1)OCC2=CSC=C2)C#N)/C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C26H23NO5S/c1-30-25(28)24(26(29)31-2)14-22(19-6-4-3-5-7-19)12-21-13-23(9-8-20(21)15-27)32-16-18-10-11-33-17-18/h3-13,17,24H,14,16H2,1-2H3/b22-12-