ethyl 4-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 4-(3-allyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-3-oxo-butanoate CAS Name: 4-[(5,6-dimethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-3-oxobutanoate Traditional Name: 4-[(3-allyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-3-keto-butyric acid ethyl ester Formula: C17H20N2O4S2 MolecularWeight: 380.4817

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NC2=C(C(=C(S2)C)C)C(=O)N1CC=C

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NC2=C(C(=C(S2)C)C)C(=O)N1CC=C

InChI

InChI=1S/C17H20N2O4S2/c1-5-7-19-16(22)14-10(3)11(4)25-15(14)18-17(19)24-9-12(20)8-13(21)23-6-2/h5H,1,6-9H2,2-4H3