4-[2-(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)ethyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[2-(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)ethyl]piperazine-1-carboxylic acid Openeye Name: 4-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]piperazine-1-carboxylic acid CAS Name: 4-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]piperazine-1-carboxylic acid Traditional Name: 4-[2-(3-keto-4H-1,4-benzothiazin-6-yl)ethyl]piperazine-1-carboxylic acid Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC3=C(C=C2)SCC(=O)N3)C(=O)O

Isomeric SMILES

C1CN(CCN1CCC2=CC3=C(C=C2)SCC(=O)N3)C(=O)O

InChI

InChI=1S/C15H19N3O3S/c19-14-10-22-13-2-1-11(9-12(13)16-14)3-4-17-5-7-18(8-6-17)15(20)21/h1-2,9H,3-8,10H2,(H,16,19)(H,20,21)