2-[(7R)-3-(4-chlorophenyl)-6-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]ethanoate

Systemtic Name: 2-[(7R)-3-(4-chlorophenyl)-6-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]ethanoate Openeye Name: 2-[(7R)-3-(4-chlorophenyl)-6-(2-thienyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetate CAS Name: 2-[(7R)-3-(4-chlorophenyl)-6-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetate IUPAC Name: 2-[(7R)-3-(4-chlorophenyl)-6-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetate Traditional Name: 2-[(7R)-3-(4-chlorophenyl)-6-(2-thienyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetate Formula: C16H10ClN4O2S2- MolecularWeight: 389.8592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NN3C(=NN=C3SC2CC(=O)[O-])C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CSC(=C1)C2=NN3C(=NN=C3S[C@@H]2CC(=O)[O-])C4=CC=C(C=C4)Cl

InChI

InChI=1S/C16H11ClN4O2S2/c17-10-5-3-9(4-6-10)15-18-19-16-21(15)20-14(11-2-1-7-24-11)12(25-16)8-13(22)23/h1-7,12H,8H2,(H,22,23)/p-1/t12-/m1/s1