4-[2-(4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)ethanoylamino]benzoate

Systemtic Name: 4-[2-(4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)ethanoylamino]benzoate Openeye Name: 4-[[2-(4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)ethyl]amino]benzoate IUPAC Name: 4-[[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-keto-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate Formula: C21H14N3O4S- MolecularWeight: 404.41856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)NC4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)NC4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C21H15N3O4S/c25-17(23-15-8-6-14(7-9-15)21(27)28)10-24-12-22-19-18(20(24)26)16(11-29-19)13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H,23,25)(H,27,28)/p-1