tert-butyl 4-[1-(phenylsulfonyl)indol-2-yl]carbonyl-2-pyridin-3-yl-1,2-thiazolidine-3-carboxylate

Systemtic Name: tert-butyl 4-[1-(phenylsulfonyl)indol-2-yl]carbonyl-2-pyridin-3-yl-1,2-thiazolidine-3-carboxylate Openeye Name: tert-butyl 4-[1-(benzenesulfonyl)indole-2-carbonyl]-2-(3-pyridyl)isothiazolidine-3-carboxylate CAS Name: 4-[[1-(benzenesulfonyl)-2-indolyl]-oxomethyl]-2-(3-pyridinyl)-3-isothiazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(benzenesulfonyl)indole-2-carbonyl]-2-pyridin-3-yl-1,2-thiazolidine-3-carboxylate Traditional Name: 4-(1-besylindole-2-carbonyl)-2-(3-pyridyl)isothiazolidine-3-carboxylic acid tert-butyl ester Formula: C28H27N3O5S2 MolecularWeight: 549.66108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C(CSN1C2=CN=CC=C2)C(=O)C3=CC4=CC=CC=C4N3S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)C1C(CSN1C2=CN=CC=C2)C(=O)C3=CC4=CC=CC=C4N3S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H27N3O5S2/c1-28(2,3)36-27(33)25-22(18-37-30(25)20-11-9-15-29-17-20)26(32)24-16-19-10-7-8-14-23(19)31(24)38(34,35)21-12-5-4-6-13-21/h4-17,22,25H,18H2,1-3H3