4-[[6-[(2-bromanyl-1,3-thiazol-4-yl)carbamoylamino]pyridin-2-yl]oxymethyl]piperidine-1-carboxylic acid

Systemtic Name: 4-[[6-[(2-bromanyl-1,3-thiazol-4-yl)carbamoylamino]pyridin-2-yl]oxymethyl]piperidine-1-carboxylic acid Openeye Name: 4-[[6-[(2-bromothiazol-4-yl)carbamoylamino]-2-pyridyl]oxymethyl]piperidine-1-carboxylic acid CAS Name: 4-[[6-[[[(2-bromo-4-thiazolyl)amino]-oxomethyl]amino]-2-pyridinyl]oxymethyl]-1-piperidinecarboxylic acid IUPAC Name: 4-[[6-[(2-bromo-1,3-thiazol-4-yl)carbamoylamino]pyridin-2-yl]oxymethyl]piperidine-1-carboxylic acid Traditional Name: 4-[[6-[(2-bromothiazol-4-yl)carbamoylamino]-2-pyridyl]oxymethyl]piperidine-1-carboxylic acid Formula: C16H18BrN5O4S MolecularWeight: 456.31422

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1COC2=CC=CC(=N2)NC(=O)NC3=CSC(=N3)Br)C(=O)O

Isomeric SMILES

C1CN(CCC1COC2=CC=CC(=N2)NC(=O)NC3=CSC(=N3)Br)C(=O)O

InChI

InChI=1S/C16H18BrN5O4S/c17-14-19-12(9-27-14)21-15(23)20-11-2-1-3-13(18-11)26-8-10-4-6-22(7-5-10)16(24)25/h1-3,9-10H,4-8H2,(H,24,25)(H2,18,20,21,23)