tert-butyl 3-[(4-methyl-2-oxidanylidene-chromen-7-yl)sulfanylmethyl]-4-phenylmethoxy-indazole-1-carboxylate

Systemtic Name: tert-butyl 3-[(4-methyl-2-oxidanylidene-chromen-7-yl)sulfanylmethyl]-4-phenylmethoxy-indazole-1-carboxylate Openeye Name: tert-butyl 4-benzyloxy-3-[(4-methyl-2-oxo-chromen-7-yl)sulfanylmethyl]indazole-1-carboxylate CAS Name: 3-[[(4-methyl-2-oxo-1-benzopyran-7-yl)thio]methyl]-4-phenylmethoxy-1-indazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(4-methyl-2-oxochromen-7-yl)sulfanylmethyl]-4-phenylmethoxyindazole-1-carboxylate Traditional Name: 4-benzoxy-3-[[(2-keto-4-methyl-chromen-7-yl)thio]methyl]indazole-1-carboxylic acid tert-butyl ester Formula: C30H28N2O5S MolecularWeight: 528.61872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)SCC3=NN(C4=C3C(=CC=C4)OCC5=CC=CC=C5)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)SCC3=NN(C4=C3C(=CC=C4)OCC5=CC=CC=C5)C(=O)OC(C)(C)C

InChI

InChI=1S/C30H28N2O5S/c1-19-15-27(33)36-26-16-21(13-14-22(19)26)38-18-23-28-24(32(31-23)29(34)37-30(2,3)4)11-8-12-25(28)35-17-20-9-6-5-7-10-20/h5-16H,17-18H2,1-4H3