ethyl 2-[(4-tert-butylphenyl)methylsulfanyl]-5-methyl-4-oxidanylidene-3-(phenylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-[(4-tert-butylphenyl)methylsulfanyl]-5-methyl-4-oxidanylidene-3-(phenylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-benzyl-2-[(4-tert-butylphenyl)methylsulfanyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(4-tert-butylphenyl)methylthio]-5-methyl-4-oxo-3-(phenylmethyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-2-[(4-tert-butylphenyl)methylsulfanyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-benzyl-2-[(4-tert-butylbenzyl)thio]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C28H30N2O3S2 MolecularWeight: 506.6794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC3=CC=CC=C3)SCC4=CC=C(C=C4)C(C)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC3=CC=CC=C3)SCC4=CC=C(C=C4)C(C)(C)C)C

InChI

InChI=1S/C28H30N2O3S2/c1-6-33-26(32)23-18(2)22-24(35-23)29-27(30(25(22)31)16-19-10-8-7-9-11-19)34-17-20-12-14-21(15-13-20)28(3,4)5/h7-15H,6,16-17H2,1-5H3