1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxylic acid Openeye Name: 1-[3-methyl-5-[(E)-2-(2-thienyl)vinyl]isoxazol-4-yl]sulfonylpiperidine-4-carboxylic acid CAS Name: 1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-4-isoxazolyl]sulfonyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxylic acid Traditional Name: 1-[3-methyl-5-[(E)-2-(2-thienyl)vinyl]isoxazol-4-yl]sulfonylisonipecotic acid Formula: C16H18N2O5S2 MolecularWeight: 382.45452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1S(=O)(=O)N2CCC(CC2)C(=O)O)C=CC3=CC=CS3

Isomeric SMILES

CC1=NOC(=C1S(=O)(=O)N2CCC(CC2)C(=O)O)/C=C/C3=CC=CS3

InChI

InChI=1S/C16H18N2O5S2/c1-11-15(14(23-17-11)5-4-13-3-2-10-24-13)25(21,22)18-8-6-12(7-9-18)16(19)20/h2-5,10,12H,6-9H2,1H3,(H,19,20)/b5-4+