(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propanoate

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propanoate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoate CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoic 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 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoate Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]propionic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C19H15BrN4O5S MolecularWeight: 491.3152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC(=O)N2C=C(C=CC2=N1)Br)NC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CC(C(=O)OCC1=CC(=O)N2C=C(C=CC2=N1)Br)NC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C19H15BrN4O5S/c1-11(21-18-14-4-2-3-5-15(14)30(27,28)23-18)19(26)29-10-13-8-17(25)24-9-12(20)6-7-16(24)22-13/h2-9,11H,10H2,1H3,(H,21,23)