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

Systemtic Name: thiophen-3-ylmethyl (E)-3-[3,4-bis(oxidanyl)phenyl]-2-cyano-prop-2-enoate Openeye Name: 3-thienylmethyl (E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(3,4-dihydroxyphenyl)-2-propenoic acid 3-thiophenylmethyl ester IUPAC Name: thiophen-3-ylmethyl (E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(3,4-dihydroxyphenyl)acrylic acid 3-thenyl ester Formula: C15H11NO4S MolecularWeight: 301.31714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=C(C#N)C(=O)OCC2=CSC=C2)O)O

Isomeric SMILES

C1=CC(=C(C=C1/C=C(\C#N)/C(=O)OCC2=CSC=C2)O)O

InChI

InChI=1S/C15H11NO4S/c16-7-12(5-10-1-2-13(17)14(18)6-10)15(19)20-8-11-3-4-21-9-11/h1-6,9,17-18H,8H2/b12-5+