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

Systemtic Name: ethyl 2-[6-methoxy-2-[2-(4-methylsulfanylphenyl)ethanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-methoxy-2-[2-(4-methylsulfanylphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-methoxy-2-[2-[4-(methylthio)phenyl]-1-oxoethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-methoxy-2-[2-(4-methylsulfanylphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-methoxy-2-[2-[4-(methylthio)phenyl]acetyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S2/c1-4-27-20(25)13-23-17-10-7-15(26-2)12-18(17)29-21(23)22-19(24)11-14-5-8-16(28-3)9-6-14/h5-10,12H,4,11,13H2,1-3H3