ethyl 2-[2-[(2-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-3-[(4-fluorophenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-[2-[(2-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-3-[(4-fluorophenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[2-[(2-chlorophenyl)methylamino]-2-oxo-ethyl]sulfanyl-3-[(4-fluorophenyl)methyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]thio]-3-[(4-fluorophenyl)methyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-3-[(4-fluorophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[2-[(2-chlorobenzyl)amino]-2-keto-ethyl]thio]-3-(4-fluorobenzyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C26H23ClFN3O4S2 MolecularWeight: 560.059923

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC3=CC=C(C=C3)F)SCC(=O)NCC4=CC=CC=C4Cl)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC3=CC=C(C=C3)F)SCC(=O)NCC4=CC=CC=C4Cl)C

InChI

InChI=1S/C26H23ClFN3O4S2/c1-3-35-25(34)22-15(2)21-23(37-22)30-26(31(24(21)33)13-16-8-10-18(28)11-9-16)36-14-20(32)29-12-17-6-4-5-7-19(17)27/h4-11H,3,12-14H2,1-2H3,(H,29,32)