2-[1-(5-methyl-1,3-benzothiazol-2-yl)-2-oxidanidyl-2-sulfanylidene-ethyl]-2-propyl-pentanoate

Systemtic Name: 2-[1-(5-methyl-1,3-benzothiazol-2-yl)-2-oxidanidyl-2-sulfanylidene-ethyl]-2-propyl-pentanoate Openeye Name: 2-[1-(5-methyl-1,3-benzothiazol-2-yl)-2-oxido-2-thioxo-ethyl]-2-propyl-pentanoate CAS Name: 2-[1-(5-methyl-1,3-benzothiazol-2-yl)-2-oxido-2-sulfanylideneethyl]-2-propylpentanoate IUPAC Name: 2-[1-(5-methyl-1,3-benzothiazol-2-yl)-2-oxido-2-sulfanylideneethyl]-2-propylpentanoate Traditional Name: 2-[1-(5-methyl-1,3-benzothiazol-2-yl)-2-oxido-2-thioxo-ethyl]-2-propyl-valerate Formula: C18H21NO3S2-2 MolecularWeight: 363.49424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)(C(C1=NC2=C(S1)C=CC(=C2)C)C(=S)[O-])C(=O)[O-]

Isomeric SMILES

CCCC(CCC)(C(C1=NC2=C(S1)C=CC(=C2)C)C(=S)[O-])C(=O)[O-]

InChI

InChI=1S/C18H23NO3S2/c1-4-8-18(9-5-2,17(21)22)14(16(20)23)15-19-12-10-11(3)6-7-13(12)24-15/h6-7,10,14H,4-5,8-9H2,1-3H3,(H,20,23)(H,21,22)/p-2