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

Systemtic Name: 5-[(2-azanyl-5-tert-butyl-1,3-benzothiazol-6-yl)sulfanyl]-2-cyclopentyl-6-oxidanyl-2-phenethyl-3H-pyran-4-one Openeye Name: 5-[(2-amino-5-tert-butyl-1,3-benzothiazol-6-yl)sulfanyl]-2-cyclopentyl-6-hydroxy-2-phenethyl-3H-pyran-4-one CAS Name: 5-[(2-amino-5-tert-butyl-1,3-benzothiazol-6-yl)thio]-2-cyclopentyl-6-hydroxy-2-phenethyl-3H-pyran-4-one IUPAC Name: 5-[(2-amino-5-tert-butyl-1,3-benzothiazol-6-yl)sulfanyl]-2-cyclopentyl-6-hydroxy-2-phenethyl-3H-pyran-4-one Traditional Name: 5-[(2-amino-5-tert-butyl-1,3-benzothiazol-6-yl)thio]-2-cyclopentyl-6-hydroxy-2-phenethyl-3H-pyran-4-one Formula: C29H34N2O3S2 MolecularWeight: 522.72186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1SC3=C(OC(CC3=O)(CCC4=CC=CC=C4)C5CCCC5)O)SC(=N2)N

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1SC3=C(OC(CC3=O)(CCC4=CC=CC=C4)C5CCCC5)O)SC(=N2)N

InChI

InChI=1S/C29H34N2O3S2/c1-28(2,3)20-15-21-24(36-27(30)31-21)16-23(20)35-25-22(32)17-29(34-26(25)33,19-11-7-8-12-19)14-13-18-9-5-4-6-10-18/h4-6,9-10,15-16,19,33H,7-8,11-14,17H2,1-3H3,(H2,30,31)