methyl 2-[(6-methyl-4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]butanoate

Systemtic Name: methyl 2-[(6-methyl-4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]butanoate Openeye Name: methyl 2-[(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]butanoate CAS Name: 2-[(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]butanoic acid methyl ester IUPAC Name: methyl 2-[(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]butanoate Traditional Name: 2-[(4-keto-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]butyric acid methyl ester Formula: C18H18N2O3S2 MolecularWeight: 374.47712

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)SC1=NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)N1

Isomeric SMILES

CCC(C(=O)OC)SC1=NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)N1

InChI

InChI=1S/C18H18N2O3S2/c1-4-12(17(22)23-3)25-18-19-15(21)14-13(10(2)24-16(14)20-18)11-8-6-5-7-9-11/h5-9,12H,4H2,1-3H3,(H,19,20,21)