7-(1,3-benzothiazol-2-yl)-6-ethoxy-1-ethyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(1,3-benzothiazol-2-yl)-6-ethoxy-1-ethyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(1,3-benzothiazol-2-yl)-6-ethoxy-1-ethyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(1,3-benzothiazol-2-yl)-6-ethoxy-1-ethyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(1,3-benzothiazol-2-yl)-6-ethoxy-1-ethyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(1,3-benzothiazol-2-yl)-6-ethoxy-1-ethyl-4-keto-quinoline-3-carboxylic acid Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)C3=NC4=CC=CC=C4S3)OCC)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)C3=NC4=CC=CC=C4S3)OCC)C(=O)O

InChI

InChI=1S/C21H18N2O4S/c1-3-23-11-14(21(25)26)19(24)12-10-17(27-4-2)13(9-16(12)23)20-22-15-7-5-6-8-18(15)28-20/h5-11H,3-4H2,1-2H3,(H,25,26)