2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]sulfanyl]ethyl (E)-3-phenylprop-2-enoate

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]sulfanyl]ethyl (E)-3-phenylprop-2-enoate Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)sulfanyl]ethyl (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)thio]ethyl ester IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)sulfanyl]ethyl (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid 2-[(1,1-diketo-1,2-benzothiazol-3-yl)thio]ethyl ester Formula: C18H15NO4S2 MolecularWeight: 373.446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)OCCSC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)OCCSC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H15NO4S2/c20-17(11-10-14-6-2-1-3-7-14)23-12-13-24-18-15-8-4-5-9-16(15)25(21,22)19-18/h1-11H,12-13H2/b11-10+