methyl 4-[3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoyloxy]benzoate

Systemtic Name: methyl 4-[3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoyloxy]benzoate Openeye Name: methyl 4-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyloxy]benzoate CAS Name: 4-[1-oxo-3-(4-oxo-3-thieno[2,3-d]pyrimidinyl)propoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyloxy]benzoate Traditional Name: 4-[3-(4-ketothieno[2,3-d]pyrimidin-3-yl)propanoyloxy]benzoic acid methyl ester Formula: C17H14N2O5S MolecularWeight: 358.36846

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OC(=O)CCN2C=NC3=C(C2=O)C=CS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC(=O)CCN2C=NC3=C(C2=O)C=CS3

InChI

InChI=1S/C17H14N2O5S/c1-23-17(22)11-2-4-12(5-3-11)24-14(20)6-8-19-10-18-15-13(16(19)21)7-9-25-15/h2-5,7,9-10H,6,8H2,1H3