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

Systemtic Name: methyl 4-[(4-oxidanylidenethieno[3,2-d]pyrimidin-3-yl)methyl]benzoate Openeye Name: methyl 4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzoate CAS Name: 4-[(4-oxo-3-thieno[3,2-d]pyrimidinyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzoate Traditional Name: 4-[(4-ketothieno[3,2-d]pyrimidin-3-yl)methyl]benzoic acid methyl ester Formula: C15H12N2O3S MolecularWeight: 300.33238

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C=NC3=C(C2=O)SC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C=NC3=C(C2=O)SC=C3

InChI

InChI=1S/C15H12N2O3S/c1-20-15(19)11-4-2-10(3-5-11)8-17-9-16-12-6-7-21-13(12)14(17)18/h2-7,9H,8H2,1H3