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

Systemtic Name: 5-[(2-azanyl-5-tert-butyl-1,3-benzothiazol-6-yl)sulfanyl]-2-[2-(3-fluorophenyl)ethyl]-6-oxidanyl-2-propyl-3H-pyran-4-one Openeye Name: 5-[(2-amino-5-tert-butyl-1,3-benzothiazol-6-yl)sulfanyl]-2-[2-(3-fluorophenyl)ethyl]-6-hydroxy-2-propyl-3H-pyran-4-one CAS Name: 5-[(2-amino-5-tert-butyl-1,3-benzothiazol-6-yl)thio]-2-[2-(3-fluorophenyl)ethyl]-6-hydroxy-2-propyl-3H-pyran-4-one IUPAC Name: 5-[(2-amino-5-tert-butyl-1,3-benzothiazol-6-yl)sulfanyl]-2-[2-(3-fluorophenyl)ethyl]-6-hydroxy-2-propyl-3H-pyran-4-one Traditional Name: 5-[(2-amino-5-tert-butyl-1,3-benzothiazol-6-yl)thio]-2-[2-(3-fluorophenyl)ethyl]-6-hydroxy-2-propyl-3H-pyran-4-one Formula: C27H31FN2O3S2 MolecularWeight: 514.675043

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CC(=O)C(=C(O1)O)SC2=CC3=C(C=C2C(C)(C)C)N=C(S3)N)CCC4=CC(=CC=C4)F

Isomeric SMILES

CCCC1(CC(=O)C(=C(O1)O)SC2=CC3=C(C=C2C(C)(C)C)N=C(S3)N)CCC4=CC(=CC=C4)F

InChI

InChI=1S/C27H31FN2O3S2/c1-5-10-27(11-9-16-7-6-8-17(28)12-16)15-20(31)23(24(32)33-27)34-21-14-22-19(30-25(29)35-22)13-18(21)26(2,3)4/h6-8,12-14,32H,5,9-11,15H2,1-4H3,(H2,29,30)