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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(CC(=O)C(=C(O1)O)SC2=CC3=C(C=C2C(C)(C)C)N=C(S3)N)CCC4=CC=C(C=C4)F

Isomeric SMILES

CC(C)C1(CC(=O)C(=C(O1)O)SC2=CC3=C(C=C2C(C)(C)C)N=C(S3)N)CCC4=CC=C(C=C4)F

InChI

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