phenacyl 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate

Systemtic Name: phenacyl 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Openeye Name: phenacyl 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate CAS Name: 3-(1,3-benzothiazol-2-ylthio)propanoic acid phenacyl ester IUPAC Name: phenacyl 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-ylthio)propionic acid phenacyl ester Formula: C18H15NO3S2 MolecularWeight: 357.4466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)CCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)CCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H15NO3S2/c20-15(13-6-2-1-3-7-13)12-22-17(21)10-11-23-18-19-14-8-4-5-9-16(14)24-18/h1-9H,10-12H2