2-[1-(1-ethoxycarbonylpiperidin-4-yl)imidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-(1-ethoxycarbonylpiperidin-4-yl)imidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-(1-ethoxycarbonyl-4-piperidyl)imidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-(1-ethoxycarbonyl-4-piperidinyl)-2-imidazolyl]thio]acetic acid IUPAC Name: 2-[1-(1-ethoxycarbonylpiperidin-4-yl)imidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-(1-carbethoxy-4-piperidyl)imidazol-2-yl]thio]acetic acid Formula: C13H19N3O4S MolecularWeight: 313.37266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2C=CN=C2SCC(=O)O

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2C=CN=C2SCC(=O)O

InChI

InChI=1S/C13H19N3O4S/c1-2-20-13(19)15-6-3-10(4-7-15)16-8-5-14-12(16)21-9-11(17)18/h5,8,10H,2-4,6-7,9H2,1H3,(H,17,18)