ethyl 4-(5,6-dimethyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylbutanoate

Systemtic Name: ethyl 4-(5,6-dimethyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylbutanoate Openeye Name: ethyl 4-(5,6-dimethyl-4-oxo-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylbutanoate CAS Name: 4-[(5,6-dimethyl-4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-(5,6-dimethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylbutanoate Traditional Name: 4-[(4-keto-5,6-dimethyl-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]butyric acid ethyl ester Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=NC2=C(C(=C(S2)C)C)C(=O)N1C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCCSC1=NC2=C(C(=C(S2)C)C)C(=O)N1C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O3S2/c1-4-25-16(23)11-8-12-26-20-21-18-17(13(2)14(3)27-18)19(24)22(20)15-9-6-5-7-10-15/h5-7,9-10H,4,8,11-12H2,1-3H3