methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-3-methyl-2-(2-methylphenyl)butanoyl]carbamate

Systemtic Name: methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-3-methyl-2-(2-methylphenyl)butanoyl]carbamate Openeye Name: methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-3-methyl-2-(o-tolyl)butanoyl]carbamate CAS Name: N-[4-(1,3-benzothiazol-2-ylmethoxy)-3-methyl-2-(2-methylphenyl)-1-oxobutyl]carbamic acid methyl ester IUPAC Name: methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-3-methyl-2-(2-methylphenyl)butanoyl]carbamate Traditional Name: N-[4-(1,3-benzothiazol-2-ylmethoxy)-3-methyl-2-(o-tolyl)butanoyl]carbamic acid methyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C(C)COCC2=NC3=CC=CC=C3S2)C(=O)NC(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C(C(C)COCC2=NC3=CC=CC=C3S2)C(=O)NC(=O)OC

InChI

InChI=1S/C22H24N2O4S/c1-14-8-4-5-9-16(14)20(21(25)24-22(26)27-3)15(2)12-28-13-19-23-17-10-6-7-11-18(17)29-19/h4-11,15,20H,12-13H2,1-3H3,(H,24,25,26)