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

Systemtic Name: tert-butyl 4-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]-4-oxidanyl-but-2-ynoate Openeye Name: tert-butyl 4-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethoxy]-3-methoxy-phenyl]-4-hydroxy-but-2-ynoate CAS Name: 4-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethoxy]-3-methoxyphenyl]-4-hydroxy-2-butynoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethoxy]-3-methoxyphenyl]-4-hydroxybut-2-ynoate Traditional Name: 4-[4-[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethoxy]-3-methoxy-phenyl]-4-hydroxy-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=NC3=CC=CC=C3S2)OC)O

Isomeric SMILES

CC(C)(C)OC(=O)C#CC(C1=CC(=C(C=C1)OCC(=O)NC2=NC3=CC=CC=C3S2)OC)O

InChI

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