(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanoate

Systemtic Name: (7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanoate Openeye Name: (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-[2-phenyl-4-(2-thienyl)thiazol-5-yl]acetate CAS Name: 2-(2-phenyl-4-thiophen-2-yl-5-thiazolyl)acetic acid (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetate Traditional Name: 2-[2-phenyl-4-(2-thienyl)thiazol-5-yl]acetic acid (4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C25H20N3O3S2+ MolecularWeight: 474.5746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)CC3=C(N=C(S3)C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)CC3=C(N=C(S3)C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C25H19N3O3S2/c1-16-9-10-21-26-18(12-22(29)28(21)14-16)15-31-23(30)13-20-24(19-8-5-11-32-19)27-25(33-20)17-6-3-2-4-7-17/h2-12,14H,13,15H2,1H3/p+1