5-[(2-azanyl-5-tert-butyl-1,3-benzothiazol-6-yl)sulfanyl]-6-oxidanyl-2-pentyl-2-phenethyl-3H-pyran-4-one

Systemtic Name: 5-[(2-azanyl-5-tert-butyl-1,3-benzothiazol-6-yl)sulfanyl]-6-oxidanyl-2-pentyl-2-phenethyl-3H-pyran-4-one Openeye Name: 5-[(2-amino-5-tert-butyl-1,3-benzothiazol-6-yl)sulfanyl]-6-hydroxy-2-pentyl-2-phenethyl-3H-pyran-4-one CAS Name: 5-[(2-amino-5-tert-butyl-1,3-benzothiazol-6-yl)thio]-6-hydroxy-2-pentyl-2-phenethyl-3H-pyran-4-one IUPAC Name: 5-[(2-amino-5-tert-butyl-1,3-benzothiazol-6-yl)sulfanyl]-6-hydroxy-2-pentyl-2-phenethyl-3H-pyran-4-one Traditional Name: 5-[(2-amino-5-tert-butyl-1,3-benzothiazol-6-yl)thio]-2-amyl-6-hydroxy-2-phenethyl-3H-pyran-4-one Formula: C29H36N2O3S2 MolecularWeight: 524.73774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(CC(=O)C(=C(O1)O)SC2=CC3=C(C=C2C(C)(C)C)N=C(S3)N)CCC4=CC=CC=C4

Isomeric SMILES

CCCCCC1(CC(=O)C(=C(O1)O)SC2=CC3=C(C=C2C(C)(C)C)N=C(S3)N)CCC4=CC=CC=C4

InChI

InChI=1S/C29H36N2O3S2/c1-5-6-10-14-29(15-13-19-11-8-7-9-12-19)18-22(32)25(26(33)34-29)35-23-17-24-21(31-27(30)36-24)16-20(23)28(2,3)4/h7-9,11-12,16-17,33H,5-6,10,13-15,18H2,1-4H3,(H2,30,31)