ethyl 2-[6-ethoxy-2-(2-naphthalen-1-ylethanoylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-ethoxy-2-(2-naphthalen-1-ylethanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-ethoxy-2-[2-(1-naphthyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethoxy-2-[2-(1-naphthalenyl)-1-oxoethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-ethoxy-2-(2-naphthalen-1-ylacetyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-ethoxy-2-[2-(1-naphthyl)acetyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CC3=CC=CC4=CC=CC=C43)S2)CC(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CC3=CC=CC4=CC=CC=C43)S2)CC(=O)OCC

InChI

InChI=1S/C25H24N2O4S/c1-3-30-19-12-13-21-22(15-19)32-25(27(21)16-24(29)31-4-2)26-23(28)14-18-10-7-9-17-8-5-6-11-20(17)18/h5-13,15H,3-4,14,16H2,1-2H3