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

Systemtic Name: [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylamino]methyl thiophene-2-carboxylate Openeye Name: [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylamino]methyl thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic 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 thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylamino]methyl ester Formula: C22H18N2O5S2 MolecularWeight: 454.51872

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)C4=CC=CS4

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=NC3=CC=CC=C3S2)OC(=O)NCOC(=O)C4=CC=CS4

InChI

InChI=1S/C22H18N2O5S2/c1-14-11-15(27-12-20-24-16-5-2-3-6-18(16)31-20)8-9-17(14)29-22(26)23-13-28-21(25)19-7-4-10-30-19/h2-11H,12-13H2,1H3,(H,23,26)