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

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(3-methylthiophen-2-yl)prop-2-enoate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(3-methyl-2-thienyl)prop-2-enoate CAS Name: (E)-3-(3-methyl-2-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-(3-methylthiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(3-methyl-2-thienyl)acrylic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C17H13BrN2O3S MolecularWeight: 405.26572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C=CC(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br

Isomeric SMILES

CC1=C(SC=C1)/C=C/C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br

InChI

InChI=1S/C17H13BrN2O3S/c1-11-6-7-24-14(11)3-5-17(22)23-10-13-8-16(21)20-9-12(18)2-4-15(20)19-13/h2-9H,10H2,1H3/b5-3+