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

Systemtic Name: methyl 3-[2-(2-methoxyphenyl)carbonylimino-6-propan-2-yl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[6-isopropyl-2-(2-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(2-methoxyphenyl)-oxomethyl]imino-6-propan-2-yl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(2-methoxybenzoyl)imino-6-propan-2-yl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-(6-isopropyl-2-o-anisoylimino-1,3-benzothiazol-3-yl)propionic acid methyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC=C3OC)S2)CCC(=O)OC

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC=C3OC)S2)CCC(=O)OC

InChI

InChI=1S/C22H24N2O4S/c1-14(2)15-9-10-17-19(13-15)29-22(24(17)12-11-20(25)28-4)23-21(26)16-7-5-6-8-18(16)27-3/h5-10,13-14H,11-12H2,1-4H3