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

Systemtic Name: 1-cyclopropyl-4-oxidanylidene-7-piperazin-1-yl-[1]benzothiolo[3,2-b]pyridine-3-carboxylic acid Openeye Name: 1-cyclopropyl-4-oxo-7-piperazin-1-yl-benzothiopheno[3,2-b]pyridine-3-carboxylic acid CAS Name: 1-cyclopropyl-4-oxo-7-(1-piperazinyl)-[1]benzothiolo[3,2-b]pyridine-3-carboxylic acid IUPAC Name: 1-cyclopropyl-4-oxo-7-piperazin-1-yl-[1]benzothiolo[3,2-b]pyridine-3-carboxylic acid Traditional Name: 1-cyclopropyl-4-keto-7-piperazino-benzothiopheno[3,2-b]pyridine-3-carboxylic acid Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=C2C4=C(S3)C=C(C=C4)N5CCNCC5)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=C2C4=C(S3)C=C(C=C4)N5CCNCC5)C(=O)O

InChI

InChI=1S/C19H19N3O3S/c23-17-14(19(24)25)10-22(11-1-2-11)16-13-4-3-12(9-15(13)26-18(16)17)21-7-5-20-6-8-21/h3-4,9-11,20H,1-2,5-8H2,(H,24,25)