methyl 3-[6-ethoxy-2-(3-fluorophenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[6-ethoxy-2-(3-fluorophenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[6-ethoxy-2-(3-fluorobenzoyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-ethoxy-2-[(3-fluorophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-ethoxy-2-(3-fluorobenzoyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-ethoxy-2-(3-fluorobenzoyl)imino-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C20H19FN2O4S MolecularWeight: 402.439263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)F)S2)CCC(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)F)S2)CCC(=O)OC

InChI

InChI=1S/C20H19FN2O4S/c1-3-27-15-7-8-16-17(12-15)28-20(23(16)10-9-18(24)26-2)22-19(25)13-5-4-6-14(21)11-13/h4-8,11-12H,3,9-10H2,1-2H3