[6-methyl-5-[(2S)-2-methylbutyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl quinoline-2-carboxylate

Systemtic Name: [6-methyl-5-[(2S)-2-methylbutyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl quinoline-2-carboxylate Openeye Name: [6-methyl-5-[(2S)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [6-methyl-5-[(2S)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl ester IUPAC Name: [6-methyl-5-[(2S)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl quinoline-2-carboxylate Traditional Name: quinaldic acid [4-keto-6-methyl-5-[(2S)-2-methylbutyl]-3H-thieno[2,3-d]pyrimidin-2-yl]methyl ester Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)C3=NC4=CC=CC=C4C=C3)C

Isomeric SMILES

CC[C@H](C)CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)C3=NC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C23H23N3O3S/c1-4-13(2)11-16-14(3)30-22-20(16)21(27)25-19(26-22)12-29-23(28)18-10-9-15-7-5-6-8-17(15)24-18/h5-10,13H,4,11-12H2,1-3H3,(H,25,26,27)/t13-/m0/s1