ethyl 2-(isothiocyanatomethyl)-5-(4-methylphenyl)sulfonyloxy-1-phenyl-indole-3-carboxylate

Systemtic Name: ethyl 2-(isothiocyanatomethyl)-5-(4-methylphenyl)sulfonyloxy-1-phenyl-indole-3-carboxylate Openeye Name: ethyl 2-(isothiocyanatomethyl)-1-phenyl-5-(p-tolylsulfonyloxy)indole-3-carboxylate CAS Name: 2-(isothiocyanatomethyl)-5-(4-methylphenyl)sulfonyloxy-1-phenyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(isothiocyanatomethyl)-5-(4-methylphenyl)sulfonyloxy-1-phenylindole-3-carboxylate Traditional Name: 2-(isothiocyanatomethyl)-1-phenyl-5-tosyloxy-indole-3-carboxylic acid ethyl ester Formula: C26H22N2O5S2 MolecularWeight: 506.59328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4)CN=C=S

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4)CN=C=S

InChI

InChI=1S/C26H22N2O5S2/c1-3-32-26(29)25-22-15-20(33-35(30,31)21-12-9-18(2)10-13-21)11-14-23(22)28(24(25)16-27-17-34)19-7-5-4-6-8-19/h4-15H,3,16H2,1-2H3