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

Systemtic Name: 2-[5-(4-methylphenyl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylpropanoic acid Openeye Name: 2-[3-allyl-4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylpropanoic acid CAS Name: 2-[[5-(4-methylphenyl)-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl]thio]propanoic acid IUPAC Name: 2-[5-(4-methylphenyl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylpropanoic acid Traditional Name: 2-[[3-allyl-4-keto-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]thio]propionic acid Formula: C19H18N2O3S2 MolecularWeight: 386.48782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SC(C)C(=O)O)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SC(C)C(=O)O)CC=C

InChI

InChI=1S/C19H18N2O3S2/c1-4-9-21-17(22)15-14(13-7-5-11(2)6-8-13)10-25-16(15)20-19(21)26-12(3)18(23)24/h4-8,10,12H,1,9H2,2-3H3,(H,23,24)