tert-butyl 4-[4-[2-[(2-methoxy-1,3-benzothiazol-4-yl)amino]-2-oxidanylidene-ethoxy]phenyl]-4-oxidanyl-but-2-ynoate

Systemtic Name: tert-butyl 4-[4-[2-[(2-methoxy-1,3-benzothiazol-4-yl)amino]-2-oxidanylidene-ethoxy]phenyl]-4-oxidanyl-but-2-ynoate Openeye Name: tert-butyl 4-hydroxy-4-[4-[2-[(2-methoxy-1,3-benzothiazol-4-yl)amino]-2-oxo-ethoxy]phenyl]but-2-ynoate CAS Name: 4-hydroxy-4-[4-[2-[(2-methoxy-1,3-benzothiazol-4-yl)amino]-2-oxoethoxy]phenyl]-2-butynoic acid tert-butyl ester IUPAC Name: tert-butyl 4-hydroxy-4-[4-[2-[(2-methoxy-1,3-benzothiazol-4-yl)amino]-2-oxoethoxy]phenyl]but-2-ynoate Traditional Name: 4-hydroxy-4-[4-[2-keto-2-[(2-methoxy-1,3-benzothiazol-4-yl)amino]ethoxy]phenyl]but-2-ynoic acid tert-butyl ester Formula: C24H24N2O6S MolecularWeight: 468.52216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C#CC(C1=CC=C(C=C1)OCC(=O)NC2=C3C(=CC=C2)SC(=N3)OC)O

Isomeric SMILES

CC(C)(C)OC(=O)C#CC(C1=CC=C(C=C1)OCC(=O)NC2=C3C(=CC=C2)SC(=N3)OC)O

InChI

InChI=1S/C24H24N2O6S/c1-24(2,3)32-21(29)13-12-18(27)15-8-10-16(11-9-15)31-14-20(28)25-17-6-5-7-19-22(17)26-23(30-4)33-19/h5-11,18,27H,14H2,1-4H3,(H,25,28)