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

Systemtic Name: ethyl 2-[4-fluoranyl-2-[4-(phenylmethyl)phenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(4-benzylbenzoyl)imino-4-fluoro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4-fluoro-2-[oxo-[4-(phenylmethyl)phenyl]methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-benzylbenzoyl)imino-4-fluoro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-benzylbenzoyl)imino-4-fluoro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C25H21FN2O3S MolecularWeight: 448.509243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=C(C=C3)CC4=CC=CC=C4)F

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=C(C=C3)CC4=CC=CC=C4)F

InChI

InChI=1S/C25H21FN2O3S/c1-2-31-22(29)16-28-23-20(26)9-6-10-21(23)32-25(28)27-24(30)19-13-11-18(12-14-19)15-17-7-4-3-5-8-17/h3-14H,2,15-16H2,1H3