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

Systemtic Name: 3-[5-(3,4-dichlorophenyl)-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoate Openeye Name: 3-[5-(3,4-dichlorophenyl)-6-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoate CAS Name: 3-[5-(3,4-dichlorophenyl)-6-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoate IUPAC Name: 3-[5-(3,4-dichlorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoate Traditional Name: 3-[5-(3,4-dichlorophenyl)-4-keto-6-methyl-thieno[2,3-d]pyrimidin-3-yl]propionate Formula: C16H11Cl2N2O3S- MolecularWeight: 382.24114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=CN(C2=O)CCC(=O)[O-])C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=C(C2=C(S1)N=CN(C2=O)CCC(=O)[O-])C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C16H12Cl2N2O3S/c1-8-13(9-2-3-10(17)11(18)6-9)14-15(24-8)19-7-20(16(14)23)5-4-12(21)22/h2-3,6-7H,4-5H2,1H3,(H,21,22)/p-1