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

Systemtic Name: 3-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: 3-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]benzoate IUPAC Name: 3-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]benzoate Formula: C20H13N2O3S2- MolecularWeight: 393.45882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCC4=CC=CC(=C4)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCC4=CC=CC(=C4)C(=O)[O-]

InChI

InChI=1S/C20H14N2O3S2/c23-17-16-15(13-6-2-1-3-7-13)11-26-18(16)22-20(21-17)27-10-12-5-4-8-14(9-12)19(24)25/h1-9,11H,10H2,(H,24,25)(H,21,22,23)/p-1