2-[5-(4-methylphenyl)-2-methylsulfanyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate

Systemtic Name: 2-[5-(4-methylphenyl)-2-methylsulfanyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: 2-[2-methylsulfanyl-4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]acetate CAS Name: 2-[5-(4-methylphenyl)-2-(methylthio)-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetate IUPAC Name: 2-[5-(4-methylphenyl)-2-methylsulfanyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate Traditional Name: 2-[4-keto-2-(methylthio)-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]acetate Formula: C16H13N2O3S2- MolecularWeight: 345.41602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O3S2/c1-9-3-5-10(6-4-9)11-8-23-14-13(11)15(21)18(7-12(19)20)16(17-14)22-2/h3-6,8H,7H2,1-2H3,(H,19,20)/p-1