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

Systemtic Name: methyl 2-[2-(4-ethoxyphenyl)ethanoylimino]-3-ethyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S/c1-4-23-17-11-8-15(20(25)26-3)13-18(17)28-21(23)22-19(24)12-14-6-9-16(10-7-14)27-5-2/h6-11,13H,4-5,12H2,1-3H3