ethyl 2-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enoate

Systemtic Name: ethyl 2-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enoate Openeye Name: ethyl 2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enoate CAS Name: 2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-3-(3-ethoxy-4-methoxyphenyl)-2-propenoic acid ethyl ester IUPAC Name: ethyl 2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoate Traditional Name: 3-(3-ethoxy-4-methoxy-phenyl)-2-(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)acrylic acid ethyl ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C2=NC3=C(C(=C(S3)C)C)C(=O)N2)C(=O)OCC)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C2=NC3=C(C(=C(S3)C)C)C(=O)N2)C(=O)OCC)OC

InChI

InChI=1S/C22H24N2O5S/c1-6-28-17-11-14(8-9-16(17)27-5)10-15(22(26)29-7-2)19-23-20(25)18-12(3)13(4)30-21(18)24-19/h8-11H,6-7H2,1-5H3,(H,23,24,25)