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

Systemtic Name: methyl 3-[5-(4-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoate Openeye Name: methyl 3-[4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]propanoate CAS Name: 3-[5-(4-methylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoate Traditional Name: 3-[4-keto-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]propionic acid methyl ester Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CCC(=O)OC

InChI

InChI=1S/C17H16N2O3S/c1-11-3-5-12(6-4-11)13-9-23-16-15(13)17(21)19(10-18-16)8-7-14(20)22-2/h3-6,9-10H,7-8H2,1-2H3