4-[(E)-C-(3-bromanyl-4-methyl-thiophen-2-yl)-N-oxidanyl-carbonimidoyl]piperidine-1-carboxylic acid

Systemtic Name: 4-[(E)-C-(3-bromanyl-4-methyl-thiophen-2-yl)-N-oxidanyl-carbonimidoyl]piperidine-1-carboxylic acid Openeye Name: 4-[(E)-C-(3-bromo-4-methyl-2-thienyl)-N-hydroxy-carbonimidoyl]piperidine-1-carboxylic acid CAS Name: 4-[(E)-(3-bromo-4-methyl-2-thiophenyl)-hydroxyiminomethyl]-1-piperidinecarboxylic acid IUPAC Name: 4-[(E)-C-(3-bromo-4-methylthiophen-2-yl)-N-hydroxycarbonimidoyl]piperidine-1-carboxylic acid Traditional Name: 4-[(E)-(3-bromo-4-methyl-2-thienyl)carbohydroximoyl]piperidine-1-carboxylic acid Formula: C12H15BrN2O3S MolecularWeight: 347.2281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1Br)C(=NO)C2CCN(CC2)C(=O)O

Isomeric SMILES

CC1=CSC(=C1Br)/C(=N/O)/C2CCN(CC2)C(=O)O

InChI

InChI=1S/C12H15BrN2O3S/c1-7-6-19-11(9(7)13)10(14-18)8-2-4-15(5-3-8)12(16)17/h6,8,18H,2-5H2,1H3,(H,16,17)/b14-10+