N-[7-tert-butyl-6-[[2-[2-[2-(hydroxymethyl)phenyl]ethyl]-6-oxidanyl-4-oxidanylidene-2-propan-2-yl-3H-pyran-5-yl]sulfanyl]-4-methyl-1,3-benzothiazol-2-yl]ethanamide

Systemtic Name: N-[7-tert-butyl-6-[[2-[2-[2-(hydroxymethyl)phenyl]ethyl]-6-oxidanyl-4-oxidanylidene-2-propan-2-yl-3H-pyran-5-yl]sulfanyl]-4-methyl-1,3-benzothiazol-2-yl]ethanamide Openeye Name: N-[7-tert-butyl-6-[[6-hydroxy-2-[2-[2-(hydroxymethyl)phenyl]ethyl]-2-isopropyl-4-oxo-3H-pyran-5-yl]sulfanyl]-4-methyl-1,3-benzothiazol-2-yl]acetamide CAS Name: N-[7-tert-butyl-6-[[6-hydroxy-2-[2-[2-(hydroxymethyl)phenyl]ethyl]-4-oxo-2-propan-2-yl-3H-pyran-5-yl]thio]-4-methyl-1,3-benzothiazol-2-yl]acetamide IUPAC Name: N-[7-tert-butyl-6-[[6-hydroxy-2-[2-[2-(hydroxymethyl)phenyl]ethyl]-4-oxo-2-propan-2-yl-3H-pyran-5-yl]sulfanyl]-4-methyl-1,3-benzothiazol-2-yl]acetamide Traditional Name: N-[7-tert-butyl-6-[[6-hydroxy-2-isopropyl-4-keto-2-[2-(2-methylolphenyl)ethyl]-3H-pyran-5-yl]thio]-4-methyl-1,3-benzothiazol-2-yl]acetamide Formula: C31H38N2O5S2 MolecularWeight: 582.77382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1N=C(S2)NC(=O)C)C(C)(C)C)SC3=C(OC(CC3=O)(CCC4=CC=CC=C4CO)C(C)C)O

Isomeric SMILES

CC1=CC(=C(C2=C1N=C(S2)NC(=O)C)C(C)(C)C)SC3=C(OC(CC3=O)(CCC4=CC=CC=C4CO)C(C)C)O

InChI

InChI=1S/C31H38N2O5S2/c1-17(2)31(13-12-20-10-8-9-11-21(20)16-34)15-22(36)26(28(37)38-31)39-23-14-18(3)25-27(24(23)30(5,6)7)40-29(33-25)32-19(4)35/h8-11,14,17,34,37H,12-13,15-16H2,1-7H3,(H,32,33,35)