7-[2-(aminomethyl)-1,3-thiazol-4-yl]-1-ethyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[2-(aminomethyl)-1,3-thiazol-4-yl]-1-ethyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[2-(aminomethyl)thiazol-4-yl]-1-ethyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[2-(aminomethyl)-4-thiazolyl]-1-ethyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[2-(aminomethyl)-1,3-thiazol-4-yl]-1-ethyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[2-(aminomethyl)thiazol-4-yl]-1-ethyl-4-keto-quinoline-3-carboxylic acid Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CSC(=N3)CN)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CSC(=N3)CN)C(=O)O

InChI

InChI=1S/C16H15N3O3S/c1-2-19-7-11(16(21)22)15(20)10-4-3-9(5-13(10)19)12-8-23-14(6-17)18-12/h3-5,7-8H,2,6,17H2,1H3,(H,21,22)