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

Systemtic Name: 2-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]benzoate Openeye Name: 2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]benzoate CAS Name: 2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]benzoate IUPAC Name: 2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]benzoate Traditional Name: 2-[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]benzoate Formula: C20H13N2O3S- MolecularWeight: 361.39382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CC4=CC=CC=C4C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CC4=CC=CC=C4C(=O)[O-]

InChI

InChI=1S/C20H14N2O3S/c23-18-17-15(12-6-2-1-3-7-12)11-26-19(17)22-16(21-18)10-13-8-4-5-9-14(13)20(24)25/h1-9,11H,10H2,(H,24,25)(H,21,22,23)/p-1