ethyl 2-[2-[4-(4-fluorophenyl)sulfonylbutanoylimino]-6-propan-2-yl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-[4-(4-fluorophenyl)sulfonylbutanoylimino]-6-propan-2-yl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[4-(4-fluorophenyl)sulfonylbutanoylimino]-6-isopropyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[4-(4-fluorophenyl)sulfonyl-1-oxobutyl]imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(4-fluorophenyl)sulfonylbutanoylimino]-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-(4-fluorophenyl)sulfonylbutanoylimino]-6-isopropyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C24H27FN2O5S2 MolecularWeight: 506.609983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)C(C)C)SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)C(C)C)SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C24H27FN2O5S2/c1-4-32-23(29)15-27-20-12-7-17(16(2)3)14-21(20)33-24(27)26-22(28)6-5-13-34(30,31)19-10-8-18(25)9-11-19/h7-12,14,16H,4-6,13,15H2,1-3H3