methyl 2-[(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)methyl]-4-phenyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)methyl]-4-phenyl-quinoline-3-carboxylate Openeye Name: methyl 2-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-4-phenyl-quinoline-3-carboxylate CAS Name: 2-[(4-oxo-3-thieno[2,3-d]pyrimidinyl)methyl]-4-phenyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-4-phenylquinoline-3-carboxylate Traditional Name: 2-[(4-ketothieno[2,3-d]pyrimidin-3-yl)methyl]-4-phenyl-quinoline-3-carboxylic acid methyl ester Formula: C24H17N3O3S MolecularWeight: 427.47508

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N=C1CN3C=NC4=C(C3=O)C=CS4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N=C1CN3C=NC4=C(C3=O)C=CS4)C5=CC=CC=C5

InChI

InChI=1S/C24H17N3O3S/c1-30-24(29)21-19(13-27-14-25-22-17(23(27)28)11-12-31-22)26-18-10-6-5-9-16(18)20(21)15-7-3-2-4-8-15/h2-12,14H,13H2,1H3