tert-butyl (3aR,8bS)-3a-ethylsulfanyl-8b-methyl-3-(4-methylphenyl)sulfonyl-2-oxidanylidene-1H-pyrrolo[2,3-b]indole-4-carboxylate

Systemtic Name: tert-butyl (3aR,8bS)-3a-ethylsulfanyl-8b-methyl-3-(4-methylphenyl)sulfonyl-2-oxidanylidene-1H-pyrrolo[2,3-b]indole-4-carboxylate Openeye Name: tert-butyl (3aR,8bS)-3a-ethylsulfanyl-8b-methyl-2-oxo-3-(p-tolylsulfonyl)-1H-pyrrolo[2,3-b]indole-4-carboxylate CAS Name: (3aR,8bS)-3a-(ethylthio)-8b-methyl-3-(4-methylphenyl)sulfonyl-2-oxo-1H-pyrrolo[2,3-b]indole-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3aR,8bS)-3a-ethylsulfanyl-8b-methyl-3-(4-methylphenyl)sulfonyl-2-oxo-1H-pyrrolo[2,3-b]indole-4-carboxylate Traditional Name: (3aR,8bS)-3a-(ethylthio)-2-keto-8b-methyl-3-tosyl-1H-pyrrol[2,3-b]indole-4-carboxylic acid tert-butyl ester Formula: C25H30N2O5S2 MolecularWeight: 502.6461

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Descriptors Computed from Structure

Canonical SMILES:

CCSC12C(CC(=O)N1S(=O)(=O)C3=CC=C(C=C3)C)(C4=CC=CC=C4N2C(=O)OC(C)(C)C)C

Isomeric SMILES

CCS[C@@]12[C@@](CC(=O)N1S(=O)(=O)C3=CC=C(C=C3)C)(C4=CC=CC=C4N2C(=O)OC(C)(C)C)C

InChI

InChI=1S/C25H30N2O5S2/c1-7-33-25-24(6,16-21(28)27(25)34(30,31)18-14-12-17(2)13-15-18)19-10-8-9-11-20(19)26(25)22(29)32-23(3,4)5/h8-15H,7,16H2,1-6H3/t24-,25+/m0/s1