ethyl 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-(furan-2-ylmethyl)-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-(furan-2-ylmethyl)-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-3-(2-furylmethyl)-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-3-(2-furanylmethyl)-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-(furan-2-ylmethyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(2-furfuryl)-4-keto-2-[(2-keto-3,3-dimethyl-butyl)thio]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H24N2O5S2 MolecularWeight: 448.55566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC3=CC=CO3)SCC(=O)C(C)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC3=CC=CO3)SCC(=O)C(C)(C)C)C

InChI

InChI=1S/C21H24N2O5S2/c1-6-27-19(26)16-12(2)15-17(30-16)22-20(29-11-14(24)21(3,4)5)23(18(15)25)10-13-8-7-9-28-13/h7-9H,6,10-11H2,1-5H3