6-tert-butyl-5-[(6-oxidanyl-4-oxidanylidene-2-phenethyl-2-propan-2-yl-3H-pyran-5-yl)sulfanyl]-1H-indole-2-carboxylic acid

Systemtic Name: 6-tert-butyl-5-[(6-oxidanyl-4-oxidanylidene-2-phenethyl-2-propan-2-yl-3H-pyran-5-yl)sulfanyl]-1H-indole-2-carboxylic acid Openeye Name: 6-tert-butyl-5-[(6-hydroxy-2-isopropyl-4-oxo-2-phenethyl-3H-pyran-5-yl)sulfanyl]-1H-indole-2-carboxylic acid CAS Name: 6-tert-butyl-5-[(6-hydroxy-4-oxo-2-phenethyl-2-propan-2-yl-3H-pyran-5-yl)thio]-1H-indole-2-carboxylic acid IUPAC Name: 6-tert-butyl-5-[(6-hydroxy-4-oxo-2-phenethyl-2-propan-2-yl-3H-pyran-5-yl)sulfanyl]-1H-indole-2-carboxylic acid Traditional Name: 6-tert-butyl-5-[(6-hydroxy-2-isopropyl-4-keto-2-phenethyl-3H-pyran-5-yl)thio]-1H-indole-2-carboxylic acid Formula: C29H33NO5S MolecularWeight: 507.64102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(CC(=O)C(=C(O1)O)SC2=C(C=C3C(=C2)C=C(N3)C(=O)O)C(C)(C)C)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)C1(CC(=O)C(=C(O1)O)SC2=C(C=C3C(=C2)C=C(N3)C(=O)O)C(C)(C)C)CCC4=CC=CC=C4

InChI

InChI=1S/C29H33NO5S/c1-17(2)29(12-11-18-9-7-6-8-10-18)16-23(31)25(27(34)35-29)36-24-14-19-13-22(26(32)33)30-21(19)15-20(24)28(3,4)5/h6-10,13-15,17,30,34H,11-12,16H2,1-5H3,(H,32,33)