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

Systemtic Name: ethyl 2-[2-(4-fluorophenyl)carbonylimino-6-propan-2-yl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(4-fluorobenzoyl)imino-6-isopropyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(4-fluorophenyl)-oxomethyl]imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-fluorobenzoyl)imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-fluorobenzoyl)imino-6-isopropyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H21FN2O3S MolecularWeight: 400.466443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN2O3S/c1-4-27-19(25)12-24-17-10-7-15(13(2)3)11-18(17)28-21(24)23-20(26)14-5-8-16(22)9-6-14/h5-11,13H,4,12H2,1-3H3