N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(2-ethoxy-4-methanoyl-phenoxy)-N-methyl-ethanamide

Systemtic Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(2-ethoxy-4-methanoyl-phenoxy)-N-methyl-ethanamide Openeye Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(2-ethoxy-4-formyl-phenoxy)-N-methyl-acetamide CAS Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(2-ethoxy-4-formylphenoxy)-N-methylacetamide IUPAC Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(2-ethoxy-4-formylphenoxy)-N-methylacetamide Traditional Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(2-ethoxy-4-formyl-phenoxy)-N-methyl-acetamide Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=O)OCC(=O)N(C)C(C)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=O)OCC(=O)N(C)[C@H](C)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H22N2O4S/c1-4-26-18-11-15(12-24)9-10-17(18)27-13-20(25)23(3)14(2)21-22-16-7-5-6-8-19(16)28-21/h5-12,14H,4,13H2,1-3H3/t14-/m1/s1