3-[(4-oxidanylidene-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 3-[(4-oxidanylidene-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 3-[(3-allyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoic acid CAS Name: 3-[[(4-oxo-5-phenyl-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]methyl]benzoic acid IUPAC Name: 3-[(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 3-[[(3-allyl-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]benzoic acid Formula: C23H18N2O3S2 MolecularWeight: 434.53062

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC3=CC=CC(=C3)C(=O)O)SC=C2C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC3=CC=CC(=C3)C(=O)O)SC=C2C4=CC=CC=C4

InChI

InChI=1S/C23H18N2O3S2/c1-2-11-25-21(26)19-18(16-8-4-3-5-9-16)14-29-20(19)24-23(25)30-13-15-7-6-10-17(12-15)22(27)28/h2-10,12,14H,1,11,13H2,(H,27,28)