tert-butyl 5-phenylmethoxy-2-pyridin-3-yl-4-(1,2-thiazolidin-4-ylcarbonyl)-1H-indole-3-carboxylate

Systemtic Name: tert-butyl 5-phenylmethoxy-2-pyridin-3-yl-4-(1,2-thiazolidin-4-ylcarbonyl)-1H-indole-3-carboxylate Openeye Name: tert-butyl 5-benzyloxy-4-(isothiazolidine-4-carbonyl)-2-(3-pyridyl)-1H-indole-3-carboxylate CAS Name: 4-[4-isothiazolidinyl(oxo)methyl]-5-phenylmethoxy-2-(3-pyridinyl)-1H-indole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-phenylmethoxy-2-pyridin-3-yl-4-(1,2-thiazolidine-4-carbonyl)-1H-indole-3-carboxylate Traditional Name: 5-benzoxy-4-(isothiazolidine-4-carbonyl)-2-(3-pyridyl)-1H-indole-3-carboxylic acid tert-butyl ester Formula: C29H29N3O4S MolecularWeight: 515.62326

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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)C(=O)C4CNSC4)C5=CN=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C29H29N3O4S/c1-29(2,3)36-28(34)25-23-21(32-26(25)19-10-7-13-30-14-19)11-12-22(35-16-18-8-5-4-6-9-18)24(23)27(33)20-15-31-37-17-20/h4-14,20,31-32H,15-17H2,1-3H3