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

Systemtic Name: methyl 4-[[3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]methyl]benzoate CAS Name: 4-[[[1-oxo-3-(4-oxo-3-thieno[2,3-d]pyrimidinyl)propyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]methyl]benzoate Traditional Name: 4-[[3-(4-ketothieno[2,3-d]pyrimidin-3-yl)propanoylamino]methyl]benzoic acid methyl ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4S/c1-25-18(24)13-4-2-12(3-5-13)10-19-15(22)6-8-21-11-20-16-14(17(21)23)7-9-26-16/h2-5,7,9,11H,6,8,10H2,1H3,(H,19,22)