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

Systemtic Name: tert-butyl 6-methoxy-3-[(2-pyridin-3-yl-1,2-thiazolidin-4-yl)carbonyl]-1H-indole-2-carboxylate Openeye Name: tert-butyl 6-methoxy-3-[2-(3-pyridyl)isothiazolidine-4-carbonyl]-1H-indole-2-carboxylate CAS Name: 6-methoxy-3-[oxo-[2-(3-pyridinyl)-4-isothiazolidinyl]methyl]-1H-indole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-methoxy-3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indole-2-carboxylate Traditional Name: 6-methoxy-3-[2-(3-pyridyl)isothiazolidine-4-carbonyl]-1H-indole-2-carboxylic acid tert-butyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C2=C(N1)C=C(C=C2)OC)C(=O)C3CN(SC3)C4=CN=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C2=C(N1)C=C(C=C2)OC)C(=O)C3CN(SC3)C4=CN=CC=C4

InChI

InChI=1S/C23H25N3O4S/c1-23(2,3)30-22(28)20-19(17-8-7-16(29-4)10-18(17)25-20)21(27)14-12-26(31-13-14)15-6-5-9-24-11-15/h5-11,14,25H,12-13H2,1-4H3