methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]-N-butoxycarbonyl-carbamate

Systemtic Name: methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]-N-butoxycarbonyl-carbamate Openeye Name: methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]-N-butoxycarbonyl-carbamate CAS Name: N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N-[butoxy(oxo)methyl]carbamic acid methyl ester IUPAC Name: methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N-butoxycarbonylcarbamate Traditional Name: N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]-N-butoxycarbonyl-carbamic acid methyl ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N(C1=C(C=C(C=C1)OCC2=NC3=CC=CC=C3S2)C)C(=O)OC

Isomeric SMILES

CCCCOC(=O)N(C1=C(C=C(C=C1)OCC2=NC3=CC=CC=C3S2)C)C(=O)OC

InChI

InChI=1S/C22H24N2O5S/c1-4-5-12-28-22(26)24(21(25)27-3)18-11-10-16(13-15(18)2)29-14-20-23-17-8-6-7-9-19(17)30-20/h6-11,13H,4-5,12,14H2,1-3H3