2-[[6-(2-pyridin-2-ylsulfanylethanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate

Systemtic Name: 2-[[6-(2-pyridin-2-ylsulfanylethanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate Openeye Name: 2-[[6-[[2-(2-pyridylsulfanyl)acetyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate CAS Name: acetic acid 2-[[6-[[1-oxo-2-(2-pyridinylthio)ethyl]amino]-1,3-benzothiazol-2-yl]thio]ethyl ester IUPAC Name: 2-[[6-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate Traditional Name: acetic acid 2-[[6-[[2-(2-pyridylthio)acetyl]amino]-1,3-benzothiazol-2-yl]thio]ethyl ester Formula: C18H17N3O3S3 MolecularWeight: 419.54088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CSC3=CC=CC=N3

Isomeric SMILES

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C18H17N3O3S3/c1-12(22)24-8-9-25-18-21-14-6-5-13(10-15(14)27-18)20-16(23)11-26-17-4-2-3-7-19-17/h2-7,10H,8-9,11H2,1H3,(H,20,23)