[(2R,4S)-4-[1-(4-methylphenyl)sulfonylindol-3-yl]-4-oxidanyl-5-oxidanylidene-oxolan-2-yl]methyl thiocyanate

Systemtic Name: [(2R,4S)-4-[1-(4-methylphenyl)sulfonylindol-3-yl]-4-oxidanyl-5-oxidanylidene-oxolan-2-yl]methyl thiocyanate Openeye Name: [(2R,4S)-4-hydroxy-5-oxo-4-[1-(p-tolylsulfonyl)indol-3-yl]tetrahydrofuran-2-yl]methyl thiocyanate CAS Name: thiocyanic acid [(2R,4S)-4-hydroxy-4-[1-(4-methylphenyl)sulfonyl-3-indolyl]-5-oxo-2-oxolanyl]methyl ester IUPAC Name: [(2R,4S)-4-hydroxy-4-[1-(4-methylphenyl)sulfonylindol-3-yl]-5-oxooxolan-2-yl]methyl thiocyanate Traditional Name: thiocyanic acid [(2R,4S)-4-hydroxy-5-keto-4-(1-tosylindol-3-yl)tetrahydrofuran-2-yl]methyl ester Formula: C21H18N2O5S2 MolecularWeight: 442.50802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C4(CC(OC4=O)CSC#N)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)[C@]4(C[C@@H](OC4=O)CSC#N)O

InChI

InChI=1S/C21H18N2O5S2/c1-14-6-8-16(9-7-14)30(26,27)23-11-18(17-4-2-3-5-19(17)23)21(25)10-15(12-29-13-22)28-20(21)24/h2-9,11,15,25H,10,12H2,1H3/t15-,21+/m1/s1