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

Systemtic Name: ethyl 2-[4-ethoxy-2-(3-fluorophenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[4-ethoxy-2-(3-fluorobenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4-ethoxy-2-[(3-fluorophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-ethoxy-2-(3-fluorobenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[4-ethoxy-2-(3-fluorobenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H19FN2O4S MolecularWeight: 402.439263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=NC(=O)C3=CC(=CC=C3)F)N2CC(=O)OCC

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=NC(=O)C3=CC(=CC=C3)F)N2CC(=O)OCC

InChI

InChI=1S/C20H19FN2O4S/c1-3-26-15-9-6-10-16-18(15)23(12-17(24)27-4-2)20(28-16)22-19(25)13-7-5-8-14(21)11-13/h5-11H,3-4,12H2,1-2H3