[[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylamino]methyl 3-methoxypropanoate

Systemtic Name: [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylamino]methyl 3-methoxypropanoate Openeye Name: [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylamino]methyl 3-methoxypropanoate CAS Name: 3-methoxypropanoic acid [[[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenoxy]-oxomethyl]amino]methyl ester IUPAC Name: [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenoxy]carbonylamino]methyl 3-methoxypropanoate Traditional Name: 3-methoxypropionic acid [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylamino]methyl ester Formula: C21H22N2O6S MolecularWeight: 430.47418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=NC3=CC=CC=C3S2)OC(=O)NCOC(=O)CCOC

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=NC3=CC=CC=C3S2)OC(=O)NCOC(=O)CCOC

InChI

InChI=1S/C21H22N2O6S/c1-14-11-15(27-12-19-23-16-5-3-4-6-18(16)30-19)7-8-17(14)29-21(25)22-13-28-20(24)9-10-26-2/h3-8,11H,9-10,12-13H2,1-2H3,(H,22,25)