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

Systemtic Name: ethyl 2-[2-(4-ethoxyphenyl)ethanoylimino]-3-methyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[2-(4-ethoxyphenyl)acetyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-(4-ethoxyphenyl)-1-oxoethyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-ethoxyphenyl)acetyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate Traditional Name: 3-methyl-2-(2-p-phenetylacetyl)imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OCC)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OCC)C

InChI

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