2-[[4-(1-ethoxycarbonylpiperidin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-(1-ethoxycarbonylpiperidin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(1-ethoxycarbonyl-4-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(1-ethoxycarbonyl-4-piperidinyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(1-ethoxycarbonylpiperidin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(1-carbethoxy-4-piperidyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H18N4O4S MolecularWeight: 314.36072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N4O4S/c1-2-20-12(19)15-5-3-9(4-6-15)16-8-13-14-11(16)21-7-10(17)18/h8-9H,2-7H2,1H3,(H,17,18)