[(2-methylphenoxy)carbonylamino]methyl 4-(1,3-benzothiazol-2-ylmethoxy)pentanoate

Systemtic Name: [(2-methylphenoxy)carbonylamino]methyl 4-(1,3-benzothiazol-2-ylmethoxy)pentanoate Openeye Name: [(2-methylphenoxy)carbonylamino]methyl 4-(1,3-benzothiazol-2-ylmethoxy)pentanoate CAS Name: 4-(1,3-benzothiazol-2-ylmethoxy)pentanoic acid [[(2-methylphenoxy)-oxomethyl]amino]methyl ester IUPAC Name: [(2-methylphenoxy)carbonylamino]methyl 4-(1,3-benzothiazol-2-ylmethoxy)pentanoate Traditional Name: 4-(1,3-benzothiazol-2-ylmethoxy)valeric acid [(2-methylphenoxy)carbonylamino]methyl ester Formula: C22H24N2O5S MolecularWeight: 428.50136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC(=O)NCOC(=O)CCC(C)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=CC=C1OC(=O)NCOC(=O)CCC(C)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H24N2O5S/c1-15-7-3-5-9-18(15)29-22(26)23-14-28-21(25)12-11-16(2)27-13-20-24-17-8-4-6-10-19(17)30-20/h3-10,16H,11-14H2,1-2H3,(H,23,26)