4-[(Z)-2-methylsulfanyl-2-(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)ethenyl]benzoic acid

Systemtic Name: 4-[(Z)-2-methylsulfanyl-2-(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)ethenyl]benzoic acid Openeye Name: 4-[(Z)-2-methylsulfanyl-2-[4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]vinyl]benzoic acid CAS Name: 4-[(Z)-2-(methylthio)-2-(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)ethenyl]benzoic acid IUPAC Name: 4-[(Z)-2-methylsulfanyl-2-(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)ethenyl]benzoic acid Traditional Name: 4-[(Z)-2-[4-keto-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]-2-(methylthio)vinyl]benzoic acid Formula: C20H14N2O3S3 MolecularWeight: 426.53176

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=CC1=CC=C(C=C1)C(=O)O)C2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2

Isomeric SMILES

CS/C(=C\C1=CC=C(C=C1)C(=O)O)/C2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2

InChI

InChI=1S/C20H14N2O3S3/c1-26-15(9-11-4-6-12(7-5-11)20(24)25)17-21-18(23)16-13(10-28-19(16)22-17)14-3-2-8-27-14/h2-10H,1H3,(H,24,25)(H,21,22,23)/b15-9-