(E)-5-azanyl-5-(2H-1,3,4-thiadiazol-3-yl)hept-2-enoic acid

Systemtic Name: (E)-5-azanyl-5-(2H-1,3,4-thiadiazol-3-yl)hept-2-enoic acid Openeye Name: (E)-5-amino-5-(2H-1,3,4-thiadiazol-3-yl)hept-2-enoic acid CAS Name: (E)-5-amino-5-(2H-1,3,4-thiadiazol-3-yl)-2-heptenoic acid IUPAC Name: (E)-5-amino-5-(2H-1,3,4-thiadiazol-3-yl)hept-2-enoic acid Traditional Name: (E)-5-amino-5-(2H-1,3,4-thiadiazol-3-yl)hept-2-enoic acid Formula: C9H15N3O2S MolecularWeight: 229.2993

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC=CC(=O)O)(N)N1CSC=N1

Isomeric SMILES

CCC(C/C=C/C(=O)O)(N)N1CSC=N1

InChI

InChI=1S/C9H15N3O2S/c1-2-9(10,5-3-4-8(13)14)12-7-15-6-11-12/h3-4,6H,2,5,7,10H2,1H3,(H,13,14)/b4-3+