tert-butyl (4R)-4-(1-ethylsulfonyl-6-phenylmethoxy-indol-3-yl)carbonyl-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate

Systemtic Name: tert-butyl (4R)-4-(1-ethylsulfonyl-6-phenylmethoxy-indol-3-yl)carbonyl-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate Openeye Name: tert-butyl (4R)-4-(6-benzyloxy-1-ethylsulfonyl-indole-3-carbonyl)-2-(3-pyridyl)thiazolidine-3-carboxylate CAS Name: (4R)-4-[(1-ethylsulfonyl-6-phenylmethoxy-3-indolyl)-oxomethyl]-2-(3-pyridinyl)-3-thiazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4R)-4-(1-ethylsulfonyl-6-phenylmethoxyindole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate Traditional Name: (4R)-4-(6-benzoxy-1-esyl-indole-3-carbonyl)-2-(3-pyridyl)thiazolidine-3-carboxylic acid tert-butyl ester Formula: C31H33N3O6S2 MolecularWeight: 607.74022

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1C=C(C2=C1C=C(C=C2)OCC3=CC=CC=C3)C(=O)C4CSC(N4C(=O)OC(C)(C)C)C5=CN=CC=C5

Isomeric SMILES

CCS(=O)(=O)N1C=C(C2=C1C=C(C=C2)OCC3=CC=CC=C3)C(=O)[C@@H]4CSC(N4C(=O)OC(C)(C)C)C5=CN=CC=C5

InChI

InChI=1S/C31H33N3O6S2/c1-5-42(37,38)33-18-25(24-14-13-23(16-26(24)33)39-19-21-10-7-6-8-11-21)28(35)27-20-41-29(22-12-9-15-32-17-22)34(27)30(36)40-31(2,3)4/h6-18,27,29H,5,19-20H2,1-4H3/t27-,29?/m0/s1