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

Systemtic Name: phenethyl 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N3CCCC4=CC=CC=C43)C(=O)OCCC5=CC=CC=C5

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N3CCCC4=CC=CC=C43)C(=O)OCCC5=CC=CC=C5

InChI

InChI=1S/C27H25N3O4S/c1-18-23-25(35-24(18)27(33)34-15-13-19-8-3-2-4-9-19)28-17-29(26(23)32)16-22(31)30-14-7-11-20-10-5-6-12-21(20)30/h2-6,8-10,12,17H,7,11,13-16H2,1H3