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

Systemtic Name: [(2-methylphenoxy)carbonylamino]methyl 4-(1,3-benzothiazol-2-ylmethoxy)butanoate Openeye Name: [(2-methylphenoxy)carbonylamino]methyl 4-(1,3-benzothiazol-2-ylmethoxy)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylmethoxy)butanoic acid [[(2-methylphenoxy)-oxomethyl]amino]methyl ester IUPAC Name: [(2-methylphenoxy)carbonylamino]methyl 4-(1,3-benzothiazol-2-ylmethoxy)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylmethoxy)butyric acid [(2-methylphenoxy)carbonylamino]methyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC(=O)NCOC(=O)CCCOCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=CC=C1OC(=O)NCOC(=O)CCCOCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H22N2O5S/c1-15-7-2-4-9-17(15)28-21(25)22-14-27-20(24)11-6-12-26-13-19-23-16-8-3-5-10-18(16)29-19/h2-5,7-10H,6,11-14H2,1H3,(H,22,25)