tert-butyl 4-[2-oxidanylidene-2-(1,2-thiazolidin-4-yl)ethyl]-5-phenylmethoxy-2-pyridin-3-yl-1H-indole-3-carboxylate

Systemtic Name: tert-butyl 4-[2-oxidanylidene-2-(1,2-thiazolidin-4-yl)ethyl]-5-phenylmethoxy-2-pyridin-3-yl-1H-indole-3-carboxylate Openeye Name: tert-butyl 5-benzyloxy-4-(2-isothiazolidin-4-yl-2-oxo-ethyl)-2-(3-pyridyl)-1H-indole-3-carboxylate CAS Name: 4-[2-(4-isothiazolidinyl)-2-oxoethyl]-5-phenylmethoxy-2-(3-pyridinyl)-1H-indole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-oxo-2-(1,2-thiazolidin-4-yl)ethyl]-5-phenylmethoxy-2-pyridin-3-yl-1H-indole-3-carboxylate Traditional Name: 5-benzoxy-4-(2-isothiazolidin-4-yl-2-keto-ethyl)-2-(3-pyridyl)-1H-indole-3-carboxylic acid tert-butyl ester Formula: C30H31N3O4S MolecularWeight: 529.64984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(NC2=C1C(=C(C=C2)OCC3=CC=CC=C3)CC(=O)C4CNSC4)C5=CN=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(NC2=C1C(=C(C=C2)OCC3=CC=CC=C3)CC(=O)C4CNSC4)C5=CN=CC=C5

InChI

InChI=1S/C30H31N3O4S/c1-30(2,3)37-29(35)27-26-22(14-24(34)21-16-32-38-18-21)25(36-17-19-8-5-4-6-9-19)12-11-23(26)33-28(27)20-10-7-13-31-15-20/h4-13,15,21,32-33H,14,16-18H2,1-3H3