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

Systemtic Name: ethyl 3-[6-methyl-2-(2-methylphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[6-methyl-2-(2-methylbenzoyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-methyl-2-[(2-methylphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[6-methyl-2-(2-methylbenzoyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-(6-methyl-2-o-toluoylimino-1,3-benzothiazol-3-yl)propionic acid ethyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=C(C=C2)C)SC1=NC(=O)C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=C(C=C2)C)SC1=NC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C21H22N2O3S/c1-4-26-19(24)11-12-23-17-10-9-14(2)13-18(17)27-21(23)22-20(25)16-8-6-5-7-15(16)3/h5-10,13H,4,11-12H2,1-3H3