(E)-2-[2-[(1-bromanylnaphthalen-2-yl)methyl]-1,1-bis(oxidanylidene)-3H-1,2-benzothiazol-3-yl]-3-ethoxy-3-oxidanyl-prop-2-enenitrile

Systemtic Name: (E)-2-[2-[(1-bromanylnaphthalen-2-yl)methyl]-1,1-bis(oxidanylidene)-3H-1,2-benzothiazol-3-yl]-3-ethoxy-3-oxidanyl-prop-2-enenitrile Openeye Name: (E)-2-[2-[(1-bromo-2-naphthyl)methyl]-1,1-dioxo-3H-1,2-benzothiazol-3-yl]-3-ethoxy-3-hydroxy-prop-2-enenitrile CAS Name: (E)-2-[2-[(1-bromo-2-naphthalenyl)methyl]-1,1-dioxo-3H-1,2-benzothiazol-3-yl]-3-ethoxy-3-hydroxy-2-propenenitrile IUPAC Name: (E)-2-[2-[(1-bromonaphthalen-2-yl)methyl]-1,1-dioxo-3H-1,2-benzothiazol-3-yl]-3-ethoxy-3-hydroxyprop-2-enenitrile Traditional Name: (E)-2-[2-[(1-bromo-2-naphthyl)methyl]-1,1-diketo-3H-1,2-benzothiazol-3-yl]-3-ethoxy-3-hydroxy-acrylonitrile Formula: C23H19BrN2O4S MolecularWeight: 499.37696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C#N)C1C2=CC=CC=C2S(=O)(=O)N1CC3=C(C4=CC=CC=C4C=C3)Br)O

Isomeric SMILES

CCO/C(=C(/C#N)\C1C2=CC=CC=C2S(=O)(=O)N1CC3=C(C4=CC=CC=C4C=C3)Br)/O

InChI

InChI=1S/C23H19BrN2O4S/c1-2-30-23(27)19(13-25)22-18-9-5-6-10-20(18)31(28,29)26(22)14-16-12-11-15-7-3-4-8-17(15)21(16)24/h3-12,22,27H,2,14H2,1H3/b23-19-