propyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylcarbamate

Systemtic Name: propyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylcarbamate Openeye Name: propyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylcarbamate CAS Name: N-[[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenoxy]-oxomethyl]carbamic acid propyl ester IUPAC Name: propyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenoxy]carbonylcarbamate Traditional Name: N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylcarbamic acid propyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)NC(=O)OC1=C(C=C(C=C1)OCC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CCCOC(=O)NC(=O)OC1=C(C=C(C=C1)OCC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C20H20N2O5S/c1-3-10-25-19(23)22-20(24)27-16-9-8-14(11-13(16)2)26-12-18-21-15-6-4-5-7-17(15)28-18/h4-9,11H,3,10,12H2,1-2H3,(H,22,23,24)