dimethyl (2S,3R)-2-(tert-butylcarbamothioyl)-1-methyl-2-phenyl-5-phenylsulfanyl-3H-pyrrole-3,4-dicarboxylate

Systemtic Name: dimethyl (2S,3R)-2-(tert-butylcarbamothioyl)-1-methyl-2-phenyl-5-phenylsulfanyl-3H-pyrrole-3,4-dicarboxylate Openeye Name: dimethyl (2S,3R)-2-(tert-butylcarbamothioyl)-1-methyl-2-phenyl-5-phenylsulfanyl-3H-pyrrole-3,4-dicarboxylate CAS Name: (2S,3R)-2-[(tert-butylamino)-sulfanylidenemethyl]-1-methyl-2-phenyl-5-(phenylthio)-3H-pyrrole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (2S,3R)-2-(tert-butylcarbamothioyl)-1-methyl-2-phenyl-5-phenylsulfanyl-3H-pyrrole-3,4-dicarboxylate Traditional Name: (2S,3R)-2-(tert-butylthiocarbamoyl)-1-methyl-2-phenyl-5-(phenylthio)-2-pyrroline-3,4-dicarboxylic acid dimethyl ester Formula: C26H30N2O4S2 MolecularWeight: 498.6574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)C1(C(C(=C(N1C)SC2=CC=CC=C2)C(=O)OC)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=S)[C@]1([C@@H](C(=C(N1C)SC2=CC=CC=C2)C(=O)OC)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C26H30N2O4S2/c1-25(2,3)27-24(33)26(17-13-9-7-10-14-17)20(23(30)32-6)19(22(29)31-5)21(28(26)4)34-18-15-11-8-12-16-18/h7-16,20H,1-6H3,(H,27,33)/t20-,26+/m0/s1