5-[(2-azanyl-5-propan-2-yl-1,3-benzothiazol-6-yl)sulfanyl]-2-[2-(4-fluorophenyl)ethyl]-6-oxidanyl-3-phenethyl-2-propan-2-yl-3H-pyran-4-one

Systemtic Name: 5-[(2-azanyl-5-propan-2-yl-1,3-benzothiazol-6-yl)sulfanyl]-2-[2-(4-fluorophenyl)ethyl]-6-oxidanyl-3-phenethyl-2-propan-2-yl-3H-pyran-4-one Openeye Name: 5-[(2-amino-5-isopropyl-1,3-benzothiazol-6-yl)sulfanyl]-2-[2-(4-fluorophenyl)ethyl]-6-hydroxy-2-isopropyl-3-phenethyl-3H-pyran-4-one CAS Name: 5-[(2-amino-5-propan-2-yl-1,3-benzothiazol-6-yl)thio]-2-[2-(4-fluorophenyl)ethyl]-6-hydroxy-3-phenethyl-2-propan-2-yl-3H-pyran-4-one IUPAC Name: 5-[(2-amino-5-propan-2-yl-1,3-benzothiazol-6-yl)sulfanyl]-2-[2-(4-fluorophenyl)ethyl]-6-hydroxy-3-phenethyl-2-propan-2-yl-3H-pyran-4-one Traditional Name: 5-[(2-amino-5-isopropyl-1,3-benzothiazol-6-yl)thio]-2-[2-(4-fluorophenyl)ethyl]-6-hydroxy-2-isopropyl-3-phenethyl-3H-pyran-4-one Formula: C34H37FN2O3S2 MolecularWeight: 604.797583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1SC3=C(OC(C(C3=O)CCC4=CC=CC=C4)(CCC5=CC=C(C=C5)F)C(C)C)O)SC(=N2)N

Isomeric SMILES

CC(C)C1=CC2=C(C=C1SC3=C(OC(C(C3=O)CCC4=CC=CC=C4)(CCC5=CC=C(C=C5)F)C(C)C)O)SC(=N2)N

InChI

InChI=1S/C34H37FN2O3S2/c1-20(2)25-18-27-29(42-33(36)37-27)19-28(25)41-31-30(38)26(15-12-22-8-6-5-7-9-22)34(21(3)4,40-32(31)39)17-16-23-10-13-24(35)14-11-23/h5-11,13-14,18-21,26,39H,12,15-17H2,1-4H3,(H2,36,37)