(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-methylquinoline-4-carboxylate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-methylquinoline-4-carboxylate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C18H13N3O3S MolecularWeight: 351.37912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C18H13N3O3S/c1-10-8-12(11-4-2-3-5-13(11)19-10)18(23)24-9-15-20-14-6-7-25-16(14)17(22)21-15/h2-8H,9H2,1H3,(H,20,21,22)