(4-oxidanylidene-4-thiophen-2-yl-butyl) (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-2-propenoic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]acrylic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C20H19NO5S MolecularWeight: 385.43356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCCCC(=O)C2=CC=CS2)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OCCCC(=O)C2=CC=CS2)OCC#N

InChI

InChI=1S/C20H19NO5S/c1-24-18-14-15(6-8-17(18)25-12-10-21)7-9-20(23)26-11-2-4-16(22)19-5-3-13-27-19/h3,5-9,13-14H,2,4,11-12H2,1H3/b9-7+