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

Systemtic Name: tert-butyl 6-methoxy-3-[(2-pyridin-3-yl-1,2-thiazolidin-4-yl)carbonyl]indole-1-carboxylate Openeye Name: tert-butyl 6-methoxy-3-[2-(3-pyridyl)isothiazolidine-4-carbonyl]indole-1-carboxylate CAS Name: 6-methoxy-3-[oxo-[2-(3-pyridinyl)-4-isothiazolidinyl]methyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-methoxy-3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)indole-1-carboxylate Traditional Name: 6-methoxy-3-[2-(3-pyridyl)isothiazolidine-4-carbonyl]indole-1-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)N1C=C(C2=C1C=C(C=C2)OC)C(=O)C3CN(SC3)C4=CN=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=C1C=C(C=C2)OC)C(=O)C3CN(SC3)C4=CN=CC=C4

InChI

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