tert-butyl 3-[7-(4-chlorophenyl)sulfanyl-4-oxidanyl-1-(phenylsulfonyl)-6,7-dihydro-5H-indol-4-yl]prop-2-ynoate

Systemtic Name: tert-butyl 3-[7-(4-chlorophenyl)sulfanyl-4-oxidanyl-1-(phenylsulfonyl)-6,7-dihydro-5H-indol-4-yl]prop-2-ynoate Openeye Name: tert-butyl 3-[1-(benzenesulfonyl)-7-(4-chlorophenyl)sulfanyl-4-hydroxy-6,7-dihydro-5H-indol-4-yl]prop-2-ynoate CAS Name: 3-[1-(benzenesulfonyl)-7-[(4-chlorophenyl)thio]-4-hydroxy-6,7-dihydro-5H-indol-4-yl]-2-propynoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[1-(benzenesulfonyl)-7-(4-chlorophenyl)sulfanyl-4-hydroxy-6,7-dihydro-5H-indol-4-yl]prop-2-ynoate Traditional Name: 3-[1-besyl-7-[(4-chlorophenyl)thio]-4-hydroxy-6,7-dihydro-5H-indol-4-yl]propiolic acid tert-butyl ester Formula: C27H26ClNO5S2 MolecularWeight: 544.08204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C#CC1(CCC(C2=C1C=CN2S(=O)(=O)C3=CC=CC=C3)SC4=CC=C(C=C4)Cl)O

Isomeric SMILES

CC(C)(C)OC(=O)C#CC1(CCC(C2=C1C=CN2S(=O)(=O)C3=CC=CC=C3)SC4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C27H26ClNO5S2/c1-26(2,3)34-24(30)14-17-27(31)16-13-23(35-20-11-9-19(28)10-12-20)25-22(27)15-18-29(25)36(32,33)21-7-5-4-6-8-21/h4-12,15,18,23,31H,13,16H2,1-3H3