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

Systemtic Name: methyl 4-[2-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(4-oxo-3-thieno[2,3-d]pyrimidinyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-ketothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoic acid methyl ester Formula: C16H13N3O4S MolecularWeight: 343.35712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O4S/c1-23-16(22)10-2-4-11(5-3-10)18-13(20)8-19-9-17-14-12(15(19)21)6-7-24-14/h2-7,9H,8H2,1H3,(H,18,20)