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

Systemtic Name: 1-ethyl-4-oxidanylidene-7-piperazin-1-yl-[1]benzothiolo[3,2-b]pyridine-3-carboxylic acid Openeye Name: 1-ethyl-4-oxo-7-piperazin-1-yl-benzothiopheno[3,2-b]pyridine-3-carboxylic acid CAS Name: 1-ethyl-4-oxo-7-(1-piperazinyl)-[1]benzothiolo[3,2-b]pyridine-3-carboxylic acid IUPAC Name: 1-ethyl-4-oxo-7-piperazin-1-yl-[1]benzothiolo[3,2-b]pyridine-3-carboxylic acid Traditional Name: 1-ethyl-4-keto-7-piperazino-benzothiopheno[3,2-b]pyridine-3-carboxylic acid Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C3=C(S2)C=C(C=C3)N4CCNCC4)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C3=C(S2)C=C(C=C3)N4CCNCC4)C(=O)O

InChI

InChI=1S/C18H19N3O3S/c1-2-20-10-13(18(23)24)16(22)17-15(20)12-4-3-11(9-14(12)25-17)21-7-5-19-6-8-21/h3-4,9-10,19H,2,5-8H2,1H3,(H,23,24)