2-methylpropyl 2-[5-(4-ethoxyphenyl)-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoate

Systemtic Name: 2-methylpropyl 2-[5-(4-ethoxyphenyl)-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoate Openeye Name: isobutyl 2-[5-(4-ethoxyphenyl)-6-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoate CAS Name: 2-[5-(4-ethoxyphenyl)-6-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[5-(4-ethoxyphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoate Traditional Name: 2-(4-keto-6-methyl-5-p-phenetyl-thieno[2,3-d]pyrimidin-3-yl)propionic acid isobutyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC3=C2C(=O)N(C=N3)C(C)C(=O)OCC(C)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC3=C2C(=O)N(C=N3)C(C)C(=O)OCC(C)C)C

InChI

InChI=1S/C22H26N2O4S/c1-6-27-17-9-7-16(8-10-17)18-15(5)29-20-19(18)21(25)24(12-23-20)14(4)22(26)28-11-13(2)3/h7-10,12-14H,6,11H2,1-5H3