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

Systemtic Name: 1-cyclopropyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-[1]benzothiolo[3,2-b]pyridine-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-(4-methylpiperazin-1-yl)-4-oxo-benzothiopheno[3,2-b]pyridine-3-carboxylic acid CAS Name: 1-cyclopropyl-7-(4-methyl-1-piperazinyl)-4-oxo-[1]benzothiolo[3,2-b]pyridine-3-carboxylic acid IUPAC Name: 1-cyclopropyl-7-(4-methylpiperazin-1-yl)-4-oxo-[1]benzothiolo[3,2-b]pyridine-3-carboxylic acid Traditional Name: 1-cyclopropyl-4-keto-7-(4-methylpiperazino)benzothiopheno[3,2-b]pyridine-3-carboxylic acid Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC3=C(C=C2)C4=C(S3)C(=O)C(=CN4C5CC5)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C2=CC3=C(C=C2)C4=C(S3)C(=O)C(=CN4C5CC5)C(=O)O

InChI

InChI=1S/C20H21N3O3S/c1-21-6-8-22(9-7-21)13-4-5-14-16(10-13)27-19-17(14)23(12-2-3-12)11-15(18(19)24)20(25)26/h4-5,10-12H,2-3,6-9H2,1H3,(H,25,26)