ethyl 4-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethoxy]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethoxy]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethoxy]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethoxy]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethoxy]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethoxy]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=CN=C2S1)OCC(=O)C3=C(N(C(=C3)C)CC=C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=CN=C2S1)OCC(=O)C3=C(N(C(=C3)C)CC=C)C)C

InChI

InChI=1S/C21H23N3O4S/c1-6-8-24-12(3)9-15(14(24)5)16(25)10-28-19-17-13(4)18(21(26)27-7-2)29-20(17)23-11-22-19/h6,9,11H,1,7-8,10H2,2-5H3