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

Systemtic Name: ethyl 2-[2-[(2-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-5-methyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[2-[(2-chlorophenyl)methylamino]-2-oxo-ethyl]sulfanyl-5-methyl-4-oxo-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]thio]-5-methyl-4-oxo-3-phenethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-5-methyl-4-oxo-3-phenethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[2-[(2-chlorobenzyl)amino]-2-keto-ethyl]thio]-4-keto-5-methyl-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C27H26ClN3O4S2 MolecularWeight: 556.09604

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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)SCC(=O)NCC4=CC=CC=C4Cl)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CCC3=CC=CC=C3)SCC(=O)NCC4=CC=CC=C4Cl)C

InChI

InChI=1S/C27H26ClN3O4S2/c1-3-35-26(34)23-17(2)22-24(37-23)30-27(31(25(22)33)14-13-18-9-5-4-6-10-18)36-16-21(32)29-15-19-11-7-8-12-20(19)28/h4-12H,3,13-16H2,1-2H3,(H,29,32)