methyl 2-[2-[2-(4-ethylphenyl)ethanoylimino]-6-methylsulfanyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-(4-ethylphenyl)ethanoylimino]-6-methylsulfanyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[2-(4-ethylphenyl)acetyl]imino-6-methylsulfanyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2-(4-ethylphenyl)-1-oxoethyl]imino-6-(methylthio)-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(4-ethylphenyl)acetyl]imino-6-methylsulfanyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[2-(4-ethylphenyl)acetyl]imino-6-(methylthio)-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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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)SC)CC(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)SC)CC(=O)OC

InChI

InChI=1S/C21H22N2O3S2/c1-4-14-5-7-15(8-6-14)11-19(24)22-21-23(13-20(25)26-2)17-10-9-16(27-3)12-18(17)28-21/h5-10,12H,4,11,13H2,1-3H3