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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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