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

Systemtic Name: 2-(4-oxidanylidene-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoic acid Openeye Name: 2-(3-allyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid CAS Name: 2-[(4-oxo-5-phenyl-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]acetic acid IUPAC Name: 2-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid Traditional Name: 2-[(3-allyl-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetic acid Formula: C17H14N2O3S2 MolecularWeight: 358.43466

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)O)SC=C2C3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)O)SC=C2C3=CC=CC=C3

InChI

InChI=1S/C17H14N2O3S2/c1-2-8-19-16(22)14-12(11-6-4-3-5-7-11)9-23-15(14)18-17(19)24-10-13(20)21/h2-7,9H,1,8,10H2,(H,20,21)