thiophen-3-ylmethyl (E)-3-[3,4-bis(ethoxycarbonyloxy)phenyl]-2-cyano-prop-2-enoate

Systemtic Name: thiophen-3-ylmethyl (E)-3-[3,4-bis(ethoxycarbonyloxy)phenyl]-2-cyano-prop-2-enoate Openeye Name: 3-thienylmethyl (E)-3-[3,4-bis(ethoxycarbonyloxy)phenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[3,4-bis(ethoxycarbonyloxy)phenyl]-2-cyano-2-propenoic acid 3-thiophenylmethyl ester IUPAC Name: thiophen-3-ylmethyl (E)-3-[3,4-bis(ethoxycarbonyloxy)phenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-2-cyano-3-(3,4-dicarbethoxyoxyphenyl)acrylic acid 3-thenyl ester Formula: C21H19NO8S MolecularWeight: 445.44246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC1=C(C=C(C=C1)C=C(C#N)C(=O)OCC2=CSC=C2)OC(=O)OCC

Isomeric SMILES

CCOC(=O)OC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)OCC2=CSC=C2)OC(=O)OCC

InChI

InChI=1S/C21H19NO8S/c1-3-26-20(24)29-17-6-5-14(10-18(17)30-21(25)27-4-2)9-16(11-22)19(23)28-12-15-7-8-31-13-15/h5-10,13H,3-4,12H2,1-2H3/b16-9+