tert-butyl 2,5-dimethyl-3-[(2-pyridin-3-yl-1,2-thiazolidin-4-yl)carbonyl]indole-1-carboxylate

Systemtic Name: tert-butyl 2,5-dimethyl-3-[(2-pyridin-3-yl-1,2-thiazolidin-4-yl)carbonyl]indole-1-carboxylate Openeye Name: tert-butyl 2,5-dimethyl-3-[2-(3-pyridyl)isothiazolidine-4-carbonyl]indole-1-carboxylate CAS Name: 2,5-dimethyl-3-[oxo-[2-(3-pyridinyl)-4-isothiazolidinyl]methyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2,5-dimethyl-3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)indole-1-carboxylate Traditional Name: 2,5-dimethyl-3-[2-(3-pyridyl)isothiazolidine-4-carbonyl]indole-1-carboxylic acid tert-butyl ester Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2C(=O)C3CN(SC3)C4=CN=CC=C4)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2C(=O)C3CN(SC3)C4=CN=CC=C4)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C24H27N3O3S/c1-15-8-9-20-19(11-15)21(16(2)27(20)23(29)30-24(3,4)5)22(28)17-13-26(31-14-17)18-7-6-10-25-12-18/h6-12,17H,13-14H2,1-5H3