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

Systemtic Name: (2R)-2-[2-methyl-5-(4-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]butanoate Openeye Name: (2R)-2-[2-methyl-4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]butanoate CAS Name: (2R)-2-[2-methyl-5-(4-methylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]butanoate IUPAC Name: (2R)-2-[2-methyl-5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoate Traditional Name: (2R)-2-[4-keto-2-methyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]butyrate Formula: C18H17N2O3S- MolecularWeight: 341.40418

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])N1C(=NC2=C(C1=O)C(=CS2)C3=CC=C(C=C3)C)C

Isomeric SMILES

CC[C@H](C(=O)[O-])N1C(=NC2=C(C1=O)C(=CS2)C3=CC=C(C=C3)C)C

InChI

InChI=1S/C18H18N2O3S/c1-4-14(18(22)23)20-11(3)19-16-15(17(20)21)13(9-24-16)12-7-5-10(2)6-8-12/h5-9,14H,4H2,1-3H3,(H,22,23)/p-1/t14-/m1/s1