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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)C)SC1=NC(=O)CC3=CC=C(C=C3)SC

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)C)SC1=NC(=O)CC3=CC=C(C=C3)SC

InChI

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