4-(1,5-naphthyridin-4-ylcarbamoyl)-1-[2-(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)ethyl]piperidine-4-carboxylic acid

Systemtic Name: 4-(1,5-naphthyridin-4-ylcarbamoyl)-1-[2-(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)ethyl]piperidine-4-carboxylic acid Openeye Name: 4-(1,5-naphthyridin-4-ylcarbamoyl)-1-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]piperidine-4-carboxylic acid CAS Name: 4-[(1,5-naphthyridin-4-ylamino)-oxomethyl]-1-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]-4-piperidinecarboxylic acid IUPAC Name: 4-(1,5-naphthyridin-4-ylcarbamoyl)-1-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(3-keto-4H-1,4-benzothiazin-6-yl)ethyl]-4-(1,5-naphthyridin-4-ylcarbamoyl)isonipecotic acid Formula: C25H25N5O4S MolecularWeight: 491.5621

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C(=O)NC2=C3C(=NC=C2)C=CC=N3)C(=O)O)CCC4=CC5=C(C=C4)SCC(=O)N5

Isomeric SMILES

C1CN(CCC1(C(=O)NC2=C3C(=NC=C2)C=CC=N3)C(=O)O)CCC4=CC5=C(C=C4)SCC(=O)N5

InChI

InChI=1S/C25H25N5O4S/c31-21-15-35-20-4-3-16(14-19(20)28-21)6-11-30-12-7-25(8-13-30,24(33)34)23(32)29-18-5-10-26-17-2-1-9-27-22(17)18/h1-5,9-10,14H,6-8,11-13,15H2,(H,28,31)(H,33,34)(H,26,29,32)