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

Systemtic Name: methyl 3-[6-methyl-2-(2-methylphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H20N2O3S MolecularWeight: 368.4494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC=C3C)S2)CCC(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC=C3C)S2)CCC(=O)OC

InChI

InChI=1S/C20H20N2O3S/c1-13-8-9-16-17(12-13)26-20(22(16)11-10-18(23)25-3)21-19(24)15-7-5-4-6-14(15)2/h4-9,12H,10-11H2,1-3H3