ethyl 2-[(3-chlorophenyl)methylsulfanyl]-5-methyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-[(3-chlorophenyl)methylsulfanyl]-5-methyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[(3-chlorophenyl)methylsulfanyl]-5-methyl-4-oxo-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(3-chlorophenyl)methylthio]-5-methyl-4-oxo-3-phenethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-chlorophenyl)methylsulfanyl]-5-methyl-4-oxo-3-phenethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(3-chlorobenzyl)thio]-4-keto-5-methyl-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C25H23ClN2O3S2 MolecularWeight: 499.04472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CCC3=CC=CC=C3)SCC4=CC(=CC=C4)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CCC3=CC=CC=C3)SCC4=CC(=CC=C4)Cl)C

InChI

InChI=1S/C25H23ClN2O3S2/c1-3-31-24(30)21-16(2)20-22(33-21)27-25(32-15-18-10-7-11-19(26)14-18)28(23(20)29)13-12-17-8-5-4-6-9-17/h4-11,14H,3,12-13,15H2,1-2H3