(3-methyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-propan-2-ylquinoline-4-carboxylate

Systemtic Name: (3-methyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-propan-2-ylquinoline-4-carboxylate Openeye Name: (3-methyl-5-oxo-thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-isopropylquinoline-4-carboxylate CAS Name: 2-propan-2-yl-4-quinolinecarboxylic acid (3-methyl-5-oxo-7-thiazolo[3,2-a]pyrimidinyl)methyl ester IUPAC Name: (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-propan-2-ylquinoline-4-carboxylate Traditional Name: 2-isopropylcinchoninic acid (5-keto-3-methyl-thiazolo[3,2-a]pyrimidin-7-yl)methyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=NC(=CC(=O)N12)COC(=O)C3=CC(=NC4=CC=CC=C43)C(C)C

Isomeric SMILES

CC1=CSC2=NC(=CC(=O)N12)COC(=O)C3=CC(=NC4=CC=CC=C43)C(C)C

InChI

InChI=1S/C21H19N3O3S/c1-12(2)18-9-16(15-6-4-5-7-17(15)23-18)20(26)27-10-14-8-19(25)24-13(3)11-28-21(24)22-14/h4-9,11-12H,10H2,1-3H3