ethyl 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-methyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-methyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]sulfanyl-5-methyl-4-oxo-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-5-methyl-4-oxo-3-phenethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-5-methyl-4-oxo-3-phenethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]thio]-4-keto-5-methyl-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C29H29N3O4S2 MolecularWeight: 547.68826

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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)N4CCCC5=CC=CC=C54)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CCC3=CC=CC=C3)SCC(=O)N4CCCC5=CC=CC=C54)C

InChI

InChI=1S/C29H29N3O4S2/c1-3-36-28(35)25-19(2)24-26(38-25)30-29(32(27(24)34)17-15-20-10-5-4-6-11-20)37-18-23(33)31-16-9-13-21-12-7-8-14-22(21)31/h4-8,10-12,14H,3,9,13,15-18H2,1-2H3