ethyl 3-[6-methyl-2-(2-phenylsulfanylethanoylimino)-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: ethyl 3-[6-methyl-2-(2-phenylsulfanylethanoylimino)-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[6-methyl-2-(2-phenylsulfanylacetyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-methyl-2-[1-oxo-2-(phenylthio)ethyl]imino-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[6-methyl-2-(2-phenylsulfanylacetyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-methyl-2-[2-(phenylthio)acetyl]imino-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=C(C=C2)C)SC1=NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=C(C=C2)C)SC1=NC(=O)CSC3=CC=CC=C3

InChI

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