3-(4-methoxyphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-prop-2-enoic acid

Systemtic Name: 3-(4-methoxyphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-prop-2-enoic acid Openeye Name: 3-(4-methoxyphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-prop-2-enoic acid CAS Name: 3-(4-methoxyphenyl)-2-[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]-2-propenoic acid IUPAC Name: 3-(4-methoxyphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylprop-2-enoic acid Traditional Name: 3-(4-methoxyphenyl)-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)thio]acrylic acid Formula: C22H16N2O3S2 MolecularWeight: 420.50404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C(C(=O)O)SC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C=C(C(=O)O)SC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H16N2O3S2/c1-27-16-9-7-14(8-10-16)11-18(22(25)26)29-21-19-17(15-5-3-2-4-6-15)12-28-20(19)23-13-24-21/h2-13H,1H3,(H,25,26)