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

Systemtic Name: 3-[5-(4-methoxy-3-methyl-phenyl)-2-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoate Openeye Name: 3-[5-(4-methoxy-3-methyl-phenyl)-2-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoate CAS Name: 3-[5-(4-methoxy-3-methylphenyl)-2-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoate IUPAC Name: 3-[5-(4-methoxy-3-methylphenyl)-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoate Traditional Name: 3-[4-keto-5-(4-methoxy-3-methyl-phenyl)-2-methyl-thieno[2,3-d]pyrimidin-3-yl]propionate Formula: C18H17N2O4S- MolecularWeight: 357.40358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O4S/c1-10-8-12(4-5-14(10)24-3)13-9-25-17-16(13)18(23)20(11(2)19-17)7-6-15(21)22/h4-5,8-9H,6-7H2,1-3H3,(H,21,22)/p-1