(2-oxidanylidene-2-thiophen-2-yl-ethyl) (E)-3-[3-chloranyl-5-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) (E)-3-[3-chloranyl-5-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] (E)-3-(3-chloro-4-isobutoxy-5-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]-2-propenoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) (E)-3-[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoate Traditional Name: (E)-3-(3-chloro-4-isobutoxy-5-methoxy-phenyl)acrylic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C20H21ClO5S MolecularWeight: 408.89574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1Cl)C=CC(=O)OCC(=O)C2=CC=CS2)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1Cl)/C=C/C(=O)OCC(=O)C2=CC=CS2)OC

InChI

InChI=1S/C20H21ClO5S/c1-13(2)11-26-20-15(21)9-14(10-17(20)24-3)6-7-19(23)25-12-16(22)18-5-4-8-27-18/h4-10,13H,11-12H2,1-3H3/b7-6+