[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methyl 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: [1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methyl 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: (1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)methyl 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid (1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)methyl ester IUPAC Name: (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid (2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)methyl ester Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C21H17N3O4S/c1-23-13(10-19(25)24(2)21(23)27)12-28-20(26)15-11-17(18-8-5-9-29-18)22-16-7-4-3-6-14(15)16/h3-11H,12H2,1-2H3