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

Systemtic Name: ethyl 2-[2-(4-ethoxyphenyl)ethanoylimino]-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[2-(4-ethoxyphenyl)acetyl]imino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-(4-ethoxyphenyl)-1-oxoethyl]imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-ethoxyphenyl)acetyl]imino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 3-[2-(methylthio)ethyl]-2-(2-p-phenetylacetyl)imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C23H26N2O4S2 MolecularWeight: 458.59354

Click to see the large picture

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)CCSC

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O4S2/c1-4-28-18-9-6-16(7-10-18)14-21(26)24-23-25(12-13-30-3)19-11-8-17(15-20(19)31-23)22(27)29-5-2/h6-11,15H,4-5,12-14H2,1-3H3