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

Systemtic Name: ethyl 2-[6-ethoxy-2-[4-(4-fluorophenyl)sulfanylbutanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-ethoxy-2-[4-(4-fluorophenyl)sulfanylbutanoylimino]-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethoxy-2-[4-[(4-fluorophenyl)thio]-1-oxobutyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-ethoxy-2-[4-(4-fluorophenyl)sulfanylbutanoylimino]-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-ethoxy-2-[4-[(4-fluorophenyl)thio]butanoylimino]-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C23H25FN2O4S2 MolecularWeight: 476.584003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CCCSC3=CC=C(C=C3)F)S2)CC(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CCCSC3=CC=C(C=C3)F)S2)CC(=O)OCC

InChI

InChI=1S/C23H25FN2O4S2/c1-3-29-17-9-12-19-20(14-17)32-23(26(19)15-22(28)30-4-2)25-21(27)6-5-13-31-18-10-7-16(24)8-11-18/h7-12,14H,3-6,13,15H2,1-2H3