5-[(E)-3-(3-methoxy-2-propan-2-yloxy-phenyl)prop-2-enoyl]-3-methyl-thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: 5-[(E)-3-(3-methoxy-2-propan-2-yloxy-phenyl)prop-2-enoyl]-3-methyl-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: 5-[(E)-3-(2-isopropoxy-3-methoxy-phenyl)prop-2-enoyl]-3-methyl-thieno[2,3-b]pyridine-2-carboxylate CAS Name: 5-[(E)-3-(3-methoxy-2-propan-2-yloxyphenyl)-1-oxoprop-2-enyl]-3-methyl-2-thieno[2,3-b]pyridinecarboxylate IUPAC Name: 5-[(E)-3-(3-methoxy-2-propan-2-yloxyphenyl)prop-2-enoyl]-3-methylthieno[2,3-b]pyridine-2-carboxylate Traditional Name: 5-[(E)-3-(2-isopropoxy-3-methoxy-phenyl)acryloyl]-3-methyl-thieno[2,3-b]pyridine-2-carboxylate Formula: C22H20NO5S- MolecularWeight: 410.4629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=C(C=C12)C(=O)C=CC3=C(C(=CC=C3)OC)OC(C)C)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=NC=C(C=C12)C(=O)/C=C/C3=C(C(=CC=C3)OC)OC(C)C)C(=O)[O-]

InChI

InChI=1S/C22H21NO5S/c1-12(2)28-19-14(6-5-7-18(19)27-4)8-9-17(24)15-10-16-13(3)20(22(25)26)29-21(16)23-11-15/h5-12H,1-4H3,(H,25,26)/p-1/b9-8+