(E)-3-ethoxy-2-[2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1,1-bis(oxidanylidene)-3H-1,2-benzothiazol-3-yl]-3-oxidanyl-prop-2-enenitrile

Systemtic Name: (E)-3-ethoxy-2-[2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1,1-bis(oxidanylidene)-3H-1,2-benzothiazol-3-yl]-3-oxidanyl-prop-2-enenitrile Openeye Name: (E)-3-ethoxy-3-hydroxy-2-[2-[4-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]phenyl]-1,1-dioxo-3H-1,2-benzothiazol-3-yl]prop-2-enenitrile CAS Name: (E)-3-ethoxy-3-hydroxy-2-[2-[4-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]phenyl]-1,1-dioxo-3H-1,2-benzothiazol-3-yl]-2-propenenitrile IUPAC Name: (E)-3-ethoxy-3-hydroxy-2-[2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1,1-dioxo-3H-1,2-benzothiazol-3-yl]prop-2-enenitrile Traditional Name: (E)-2-[1,1-diketo-2-[4-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]phenyl]-3H-1,2-benzothiazol-3-yl]-3-ethoxy-3-hydroxy-acrylonitrile Formula: C30H27N3O6S MolecularWeight: 557.61688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C#N)C1C2=CC=CC=C2S(=O)(=O)N1C3=CC=C(C=C3)OCCC4=C(OC(=N4)C5=CC=CC=C5)C)O

Isomeric SMILES

CCO/C(=C(/C#N)\C1C2=CC=CC=C2S(=O)(=O)N1C3=CC=C(C=C3)OCCC4=C(OC(=N4)C5=CC=CC=C5)C)/O

InChI

InChI=1S/C30H27N3O6S/c1-3-37-30(34)25(19-31)28-24-11-7-8-12-27(24)40(35,36)33(28)22-13-15-23(16-14-22)38-18-17-26-20(2)39-29(32-26)21-9-5-4-6-10-21/h4-16,28,34H,3,17-18H2,1-2H3/b30-25-