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

Systemtic Name: methyl 3-[6-ethyl-2-(2-phenylethanoylimino)-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[6-ethyl-2-(2-phenylacetyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-ethyl-2-(1-oxo-2-phenylethyl)imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-ethyl-2-(2-phenylacetyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-ethyl-2-(2-phenylacetyl)imino-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NC(=O)CC3=CC=CC=C3)S2)CCC(=O)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)CC3=CC=CC=C3)S2)CCC(=O)OC

InChI

InChI=1S/C21H22N2O3S/c1-3-15-9-10-17-18(13-15)27-21(23(17)12-11-20(25)26-2)22-19(24)14-16-7-5-4-6-8-16/h4-10,13H,3,11-12,14H2,1-2H3