2-[8-(methylsulfonimidoyl)-11-oxidanylidene-pyrido[2,1-b]quinazolin-2-yl]propanoic acid

Systemtic Name: 2-[8-(methylsulfonimidoyl)-11-oxidanylidene-pyrido[2,1-b]quinazolin-2-yl]propanoic acid Openeye Name: 2-[8-(methylsulfonimidoyl)-11-oxo-pyrido[2,1-b]quinazolin-2-yl]propanoic acid CAS Name: 2-[8-(methylsulfonimidoyl)-11-oxo-2-pyrido[2,1-b]quinazolinyl]propanoic acid IUPAC Name: 2-[8-(methylsulfonimidoyl)-11-oxopyrido[2,1-b]quinazolin-2-yl]propanoic acid Traditional Name: 2-[11-keto-8-(methylsulfonimidoyl)pyrido[2,1-b]quinazolin-2-yl]propionic acid Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)N=C3C=CC(=CN3C2=O)S(=N)(=O)C)C(=O)O

Isomeric SMILES

CC(C1=CC2=C(C=C1)N=C3C=CC(=CN3C2=O)S(=N)(=O)C)C(=O)O

InChI

InChI=1S/C16H15N3O4S/c1-9(16(21)22)10-3-5-13-12(7-10)15(20)19-8-11(24(2,17)23)4-6-14(19)18-13/h3-9,17H,1-2H3,(H,21,22)