methyl 4-[2-(4-oxidanylidene-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(4-oxidanylidene-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(4-oxo-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(4-oxo-6-phenyl-3-thieno[2,3-d]pyrimidinyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-keto-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoic acid methyl ester Formula: C22H17N3O4S MolecularWeight: 419.45308

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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=C(S3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C=C(S3)C4=CC=CC=C4

InChI

InChI=1S/C22H17N3O4S/c1-29-22(28)15-7-9-16(10-8-15)24-19(26)12-25-13-23-20-17(21(25)27)11-18(30-20)14-5-3-2-4-6-14/h2-11,13H,12H2,1H3,(H,24,26)