methyl 2-[4-ethoxy-2-(2-phenoxyethanoylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[4-ethoxy-2-(2-phenoxyethanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[4-ethoxy-2-(2-phenoxyacetyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4-ethoxy-2-(1-oxo-2-phenoxyethyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-ethoxy-2-(2-phenoxyacetyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[4-ethoxy-2-(2-phenoxyacetyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=NC(=O)COC3=CC=CC=C3)N2CC(=O)OC

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=NC(=O)COC3=CC=CC=C3)N2CC(=O)OC

InChI

InChI=1S/C20H20N2O5S/c1-3-26-15-10-7-11-16-19(15)22(12-18(24)25-2)20(28-16)21-17(23)13-27-14-8-5-4-6-9-14/h4-11H,3,12-13H2,1-2H3