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

Systemtic Name: tert-butyl 4-[1-(phenylsulfonyl)indol-3-yl]carbonyl-2-pyridin-3-yl-1,2-thiazolidine-3-carboxylate Openeye Name: tert-butyl 4-[1-(benzenesulfonyl)indole-3-carbonyl]-2-(3-pyridyl)isothiazolidine-3-carboxylate CAS Name: 4-[[1-(benzenesulfonyl)-3-indolyl]-oxomethyl]-2-(3-pyridinyl)-3-isothiazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(benzenesulfonyl)indole-3-carbonyl]-2-pyridin-3-yl-1,2-thiazolidine-3-carboxylate Traditional Name: 4-(1-besylindole-3-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=CN(C4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)C1C(CSN1C2=CN=CC=C2)C(=O)C3=CN(C4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5

InChI

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