ethyl 2-[2-(4-ethoxyphenyl)ethanoylimino]-3-ethyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[2-(4-ethoxyphenyl)ethanoylimino]-3-ethyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[2-(4-ethoxyphenyl)acetyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-(4-ethoxyphenyl)-1-oxoethyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-ethoxyphenyl)acetyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylate Traditional Name: 3-ethyl-2-(2-p-phenetylacetyl)imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)CC3=CC=C(C=C3)OCC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)CC3=CC=C(C=C3)OCC

InChI

InChI=1S/C22H24N2O4S/c1-4-24-18-12-9-16(21(26)28-6-3)14-19(18)29-22(24)23-20(25)13-15-7-10-17(11-8-15)27-5-2/h7-12,14H,4-6,13H2,1-3H3