ethyl 2-[4-fluoranyl-2-(3-pentoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[4-fluoranyl-2-(3-pentoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[4-fluoro-2-(3-pentoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4-fluoro-2-[oxo-(3-pentoxyphenyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-fluoro-2-(3-pentoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3-amoxybenzoyl)imino-4-fluoro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C23H25FN2O4S MolecularWeight: 444.519003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=C(C=CC=C3S2)F)CC(=O)OCC

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=C(C=CC=C3S2)F)CC(=O)OCC

InChI

InChI=1S/C23H25FN2O4S/c1-3-5-6-13-30-17-10-7-9-16(14-17)22(28)25-23-26(15-20(27)29-4-2)21-18(24)11-8-12-19(21)31-23/h7-12,14H,3-6,13,15H2,1-2H3