(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-thiophen-3-ylprop-2-enoate

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-thiophen-3-ylprop-2-enoate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(3-thienyl)prop-2-enoate CAS Name: (E)-3-(3-thiophenyl)-2-propenoic acid (7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-thiophen-3-ylprop-2-enoate Traditional Name: (E)-3-(3-thienyl)acrylic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C16H11BrN2O3S MolecularWeight: 391.23914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(=CC(=O)N2C=C1Br)COC(=O)C=CC3=CSC=C3

Isomeric SMILES

C1=CC2=NC(=CC(=O)N2C=C1Br)COC(=O)/C=C/C3=CSC=C3

InChI

InChI=1S/C16H11BrN2O3S/c17-12-2-3-14-18-13(7-15(20)19(14)8-12)9-22-16(21)4-1-11-5-6-23-10-11/h1-8,10H,9H2/b4-1+