1-ethyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-[1]benzothiolo[3,2-b]pyridine-3-carboxylic acid

Systemtic Name: 1-ethyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-[1]benzothiolo[3,2-b]pyridine-3-carboxylic acid Openeye Name: 1-ethyl-7-(4-methylpiperazin-1-yl)-4-oxo-benzothiopheno[3,2-b]pyridine-3-carboxylic acid CAS Name: 1-ethyl-7-(4-methyl-1-piperazinyl)-4-oxo-[1]benzothiolo[3,2-b]pyridine-3-carboxylic acid IUPAC Name: 1-ethyl-7-(4-methylpiperazin-1-yl)-4-oxo-[1]benzothiolo[3,2-b]pyridine-3-carboxylic acid Traditional Name: 1-ethyl-4-keto-7-(4-methylpiperazino)benzothiopheno[3,2-b]pyridine-3-carboxylic acid Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C3=C(S2)C=C(C=C3)N4CCN(CC4)C)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C3=C(S2)C=C(C=C3)N4CCN(CC4)C)C(=O)O

InChI

InChI=1S/C19H21N3O3S/c1-3-21-11-14(19(24)25)17(23)18-16(21)13-5-4-12(10-15(13)26-18)22-8-6-20(2)7-9-22/h4-5,10-11H,3,6-9H2,1-2H3,(H,24,25)