ethyl 5-(4-methylphenyl)carbonyloxy-4-oxidanylidene-1,3-diphenyl-2-sulfanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-(4-methylphenyl)carbonyloxy-4-oxidanylidene-1,3-diphenyl-2-sulfanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-(4-methylbenzoyl)oxy-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-[(4-methylphenyl)-oxomethoxy]-4-oxo-1,3-diphenyl-2-sulfanylidene-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-methylbenzoyl)oxy-4-oxo-1,3-diphenyl-2-sulfanylidenethieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-1,3-diphenyl-5-p-toluoyloxy-2-thioxo-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C29H22N2O5S2 MolecularWeight: 542.62538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C29H22N2O5S2/c1-3-35-28(34)24-23(36-27(33)19-16-14-18(2)15-17-19)22-25(32)30(20-10-6-4-7-11-20)29(37)31(26(22)38-24)21-12-8-5-9-13-21/h4-17H,3H2,1-2H3