ethyl 3-[2-[2-(4-methylphenyl)sulfanylethanoylimino]-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: ethyl 3-[2-[2-(4-methylphenyl)sulfanylethanoylimino]-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-[2-(p-tolylsulfanyl)acetyl]imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[2-[(4-methylphenyl)thio]-1-oxoethyl]imino-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-[2-(4-methylphenyl)sulfanylacetyl]imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-[2-(p-tolylthio)acetyl]imino-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=CC=CC=C2SC1=NC(=O)CSC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)CCN1C2=CC=CC=C2SC1=NC(=O)CSC3=CC=C(C=C3)C

InChI

InChI=1S/C21H22N2O3S2/c1-3-26-20(25)12-13-23-17-6-4-5-7-18(17)28-21(23)22-19(24)14-27-16-10-8-15(2)9-11-16/h4-11H,3,12-14H2,1-2H3