5-[(2-azanyl-4-methyl-7-propan-2-yl-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-4-methyl-7-propan-2-yl-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-7-isopropyl-4-methyl-1,3-benzothiazol-6-yl)sulfanyl]-2-[2-(4-fluorophenyl)ethyl]-6-hydroxy-2-isopropyl-3H-pyran-4-one CAS Name: 5-[(2-amino-4-methyl-7-propan-2-yl-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-4-methyl-7-propan-2-yl-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-7-isopropyl-4-methyl-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:

CC1=CC(=C(C2=C1N=C(S2)N)C(C)C)SC3=C(OC(CC3=O)(CCC4=CC=C(C=C4)F)C(C)C)O

Isomeric SMILES

CC1=CC(=C(C2=C1N=C(S2)N)C(C)C)SC3=C(OC(CC3=O)(CCC4=CC=C(C=C4)F)C(C)C)O

InChI

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