tert-butyl 6-phenylmethoxy-3-[[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]carbonyl]indole-1-carboxylate

Systemtic Name: tert-butyl 6-phenylmethoxy-3-[[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]carbonyl]indole-1-carboxylate Openeye Name: tert-butyl 6-benzyloxy-3-[(4R)-2-(3-pyridyl)thiazolidine-4-carbonyl]indole-1-carboxylate CAS Name: 3-[oxo-[(4R)-2-(3-pyridinyl)-4-thiazolidinyl]methyl]-6-phenylmethoxy-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-phenylmethoxy-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxylate Traditional Name: 6-benzoxy-3-[(4R)-2-(3-pyridyl)thiazolidine-4-carbonyl]indole-1-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)N1C=C(C2=C1C=C(C=C2)OCC3=CC=CC=C3)C(=O)C4CSC(N4)C5=CN=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=C1C=C(C=C2)OCC3=CC=CC=C3)C(=O)[C@@H]4CSC(N4)C5=CN=CC=C5

InChI

InChI=1S/C29H29N3O4S/c1-29(2,3)36-28(34)32-16-23(26(33)24-18-37-27(31-24)20-10-7-13-30-15-20)22-12-11-21(14-25(22)32)35-17-19-8-5-4-6-9-19/h4-16,24,27,31H,17-18H2,1-3H3/t24-,27?/m0/s1