ethyl 2-cyano-2-[3-cyano-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-cyano-2-[3-cyano-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-cyano-2-[3-cyano-2-[4-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]phenyl]-1,1-dioxo-1,2-benzothiazol-3-yl]acetate CAS Name: 2-cyano-2-[3-cyano-2-[4-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]phenyl]-1,1-dioxo-1,2-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-[3-cyano-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1,1-dioxo-1,2-benzothiazol-3-yl]acetate Traditional Name: 2-cyano-2-[3-cyano-1,1-diketo-2-[4-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]phenyl]-1,2-benzothiazol-3-yl]acetic acid ethyl ester Formula: C31H26N4O6S MolecularWeight: 582.62634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1(C2=CC=CC=C2S(=O)(=O)N1C3=CC=C(C=C3)OCCC4=C(OC(=N4)C5=CC=CC=C5)C)C#N

Isomeric SMILES

CCOC(=O)C(C#N)C1(C2=CC=CC=C2S(=O)(=O)N1C3=CC=C(C=C3)OCCC4=C(OC(=N4)C5=CC=CC=C5)C)C#N

InChI

InChI=1S/C31H26N4O6S/c1-3-39-30(36)26(19-32)31(20-33)25-11-7-8-12-28(25)42(37,38)35(31)23-13-15-24(16-14-23)40-18-17-27-21(2)41-29(34-27)22-9-5-4-6-10-22/h4-16,26H,3,17-18H2,1-2H3