ethyl 2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-5-methyl-4-oxidanylidene-3-(phenylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-5-methyl-4-oxidanylidene-3-(phenylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-benzyl-2-(2-ethoxy-2-oxo-ethyl)sulfanyl-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(2-ethoxy-2-oxoethyl)thio]-5-methyl-4-oxo-3-(phenylmethyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-2-(2-ethoxy-2-oxoethyl)sulfanyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-benzyl-2-[(2-ethoxy-2-keto-ethyl)thio]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)N1CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)N1CC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O5S2/c1-4-27-15(24)12-29-21-22-18-16(13(3)17(30-18)20(26)28-5-2)19(25)23(21)11-14-9-7-6-8-10-14/h6-10H,4-5,11-12H2,1-3H3