tert-butyl 3-[(3-methoxycarbonylphenyl)sulfanylmethyl]-4-phenylmethoxy-indazole-1-carboxylate

Systemtic Name: tert-butyl 3-[(3-methoxycarbonylphenyl)sulfanylmethyl]-4-phenylmethoxy-indazole-1-carboxylate Openeye Name: tert-butyl 4-benzyloxy-3-[(3-methoxycarbonylphenyl)sulfanylmethyl]indazole-1-carboxylate CAS Name: 3-[[(3-methoxycarbonylphenyl)thio]methyl]-4-phenylmethoxy-1-indazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(3-methoxycarbonylphenyl)sulfanylmethyl]-4-phenylmethoxyindazole-1-carboxylate Traditional Name: 4-benzoxy-3-[[(3-carbomethoxyphenyl)thio]methyl]indazole-1-carboxylic acid tert-butyl ester Formula: C28H28N2O5S MolecularWeight: 504.59732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C(=CC=C2)OCC3=CC=CC=C3)C(=N1)CSC4=CC=CC(=C4)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C(=CC=C2)OCC3=CC=CC=C3)C(=N1)CSC4=CC=CC(=C4)C(=O)OC

InChI

InChI=1S/C28H28N2O5S/c1-28(2,3)35-27(32)30-23-14-9-15-24(34-17-19-10-6-5-7-11-19)25(23)22(29-30)18-36-21-13-8-12-20(16-21)26(31)33-4/h5-16H,17-18H2,1-4H3