7-(2-acetamido-1,3-thiazol-4-yl)-1-ethyl-4-oxidanylidene-1H-quinolin-1-ium-3-carboxylic acid

Systemtic Name: 7-(2-acetamido-1,3-thiazol-4-yl)-1-ethyl-4-oxidanylidene-1H-quinolin-1-ium-3-carboxylic acid Openeye Name: 7-(2-acetamidothiazol-4-yl)-1-ethyl-4-oxo-1H-quinolin-1-ium-3-carboxylic acid CAS Name: 7-(2-acetamido-4-thiazolyl)-1-ethyl-4-oxo-1H-quinolin-1-ium-3-carboxylic acid IUPAC Name: 7-(2-acetamido-1,3-thiazol-4-yl)-1-ethyl-4-oxo-1H-quinolin-1-ium-3-carboxylic acid Traditional Name: 7-(2-acetamidothiazol-4-yl)-1-ethyl-4-keto-1H-quinolin-1-ium-3-carboxylic acid Formula: C17H16N3O4S+ MolecularWeight: 358.39164

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1C=C(C(=O)C2=C1C=C(C=C2)C3=CSC(=N3)NC(=O)C)C(=O)O

Isomeric SMILES

CC[NH+]1C=C(C(=O)C2=C1C=C(C=C2)C3=CSC(=N3)NC(=O)C)C(=O)O

InChI

InChI=1S/C17H15N3O4S/c1-3-20-7-12(16(23)24)15(22)11-5-4-10(6-14(11)20)13-8-25-17(19-13)18-9(2)21/h4-8H,3H2,1-2H3,(H,23,24)(H,18,19,21)/p+1