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

Systemtic Name: methyl 4-[[2-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-(4-oxo-3-thieno[2,3-d]pyrimidinyl)ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(4-ketothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]methyl]benzoic acid methyl ester Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CN2C=NC3=C(C2=O)C=CS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CN2C=NC3=C(C2=O)C=CS3

InChI

InChI=1S/C17H15N3O4S/c1-24-17(23)12-4-2-11(3-5-12)8-18-14(21)9-20-10-19-15-13(16(20)22)6-7-25-15/h2-7,10H,8-9H2,1H3,(H,18,21)