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

Systemtic Name: ethyl 2-[2-(4-ethylphenyl)ethanoylimino]-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[2-(4-ethylphenyl)acetyl]imino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-(4-ethylphenyl)-1-oxoethyl]imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-ethylphenyl)acetyl]imino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-(4-ethylphenyl)acetyl]imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C23H26N2O3S2 MolecularWeight: 442.59414

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OCC)CCSC

Isomeric SMILES

CCC1=CC=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OCC)CCSC

InChI

InChI=1S/C23H26N2O3S2/c1-4-16-6-8-17(9-7-16)14-21(26)24-23-25(12-13-29-3)19-11-10-18(15-20(19)30-23)22(27)28-5-2/h6-11,15H,4-5,12-14H2,1-3H3