2-[4-oxidanylidene-6-phenyl-3-(phenylmethyl)thieno[3,2-d]pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: 2-[4-oxidanylidene-6-phenyl-3-(phenylmethyl)thieno[3,2-d]pyrimidin-2-yl]sulfanylethanoate Openeye Name: 2-(3-benzyl-4-oxo-6-phenyl-thieno[3,2-d]pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[[4-oxo-6-phenyl-3-(phenylmethyl)-2-thieno[3,2-d]pyrimidinyl]thio]acetate IUPAC Name: 2-(3-benzyl-4-oxo-6-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(3-benzyl-4-keto-6-phenyl-thieno[3,2-d]pyrimidin-2-yl)thio]acetate Formula: C21H15N2O3S2- MolecularWeight: 407.4854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(S3)C4=CC=CC=C4)N=C2SCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(S3)C4=CC=CC=C4)N=C2SCC(=O)[O-]

InChI

InChI=1S/C21H16N2O3S2/c24-18(25)13-27-21-22-16-11-17(15-9-5-2-6-10-15)28-19(16)20(26)23(21)12-14-7-3-1-4-8-14/h1-11H,12-13H2,(H,24,25)/p-1