(9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(5-phenylthiophen-2-yl)prop-2-enoate

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(5-phenylthiophen-2-yl)prop-2-enoate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(5-phenyl-2-thienyl)prop-2-enoate CAS Name: (E)-3-(5-phenyl-2-thiophenyl)-2-propenoic acid (9-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(5-phenylthiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-phenyl-2-thienyl)acrylic acid (4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C23H18N2O3S MolecularWeight: 402.46562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)C=CC3=CC=C(S3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)/C=C/C3=CC=C(S3)C4=CC=CC=C4

InChI

InChI=1S/C23H18N2O3S/c1-16-6-5-13-25-21(26)14-18(24-23(16)25)15-28-22(27)12-10-19-9-11-20(29-19)17-7-3-2-4-8-17/h2-14H,15H2,1H3/b12-10+