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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CN2C=NC3=C(C2=O)SC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CN2C=NC3=C(C2=O)SC=C3

InChI

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