ethyl 4-[2-(4-oxidanylidene-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]butanoate

Systemtic Name: ethyl 4-[2-(4-oxidanylidene-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]butanoate Openeye Name: ethyl 4-[[2-(3-allyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]butanoate CAS Name: 4-[[1-oxo-2-[(4-oxo-5-phenyl-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]ethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[(3-allyl-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]butyric acid ethyl ester Formula: C23H25N3O4S2 MolecularWeight: 471.5923

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)CSC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1CC=C

Isomeric SMILES

CCOC(=O)CCCNC(=O)CSC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1CC=C

InChI

InChI=1S/C23H25N3O4S2/c1-3-13-26-22(29)20-17(16-9-6-5-7-10-16)14-31-21(20)25-23(26)32-15-18(27)24-12-8-11-19(28)30-4-2/h3,5-7,9-10,14H,1,4,8,11-13,15H2,2H3,(H,24,27)