(3R)-7-oxidanylidene-3-phenyl-7-(1,3,4-thiadiazol-2-ylamino)heptanoate

Systemtic Name: (3R)-7-oxidanylidene-3-phenyl-7-(1,3,4-thiadiazol-2-ylamino)heptanoate Openeye Name: (3R)-7-oxo-3-phenyl-7-(1,3,4-thiadiazol-2-ylamino)heptanoate CAS Name: (3R)-7-oxo-3-phenyl-7-(1,3,4-thiadiazol-2-ylamino)heptanoate IUPAC Name: (3R)-7-oxo-3-phenyl-7-(1,3,4-thiadiazol-2-ylamino)heptanoate Traditional Name: (3R)-7-keto-3-phenyl-7-(1,3,4-thiadiazol-2-ylamino)enanthate Formula: C15H16N3O3S- MolecularWeight: 318.37084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCCC(=O)NC2=NN=CS2)CC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[C@H](CCCC(=O)NC2=NN=CS2)CC(=O)[O-]

InChI

InChI=1S/C15H17N3O3S/c19-13(17-15-18-16-10-22-15)8-4-7-12(9-14(20)21)11-5-2-1-3-6-11/h1-3,5-6,10,12H,4,7-9H2,(H,20,21)(H,17,18,19)/p-1/t12-/m1/s1