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

Systemtic Name: methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-(2-methylphenyl)butanoyl]carbamate Openeye Name: methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-(o-tolyl)butanoyl]carbamate CAS Name: N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-(2-methylphenyl)-1-oxobutyl]carbamic acid methyl ester IUPAC Name: methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-(2-methylphenyl)butanoyl]carbamate Traditional Name: N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-(o-tolyl)butanoyl]carbamic acid methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCOCC2=NC3=CC=CC=C3S2)C(=O)NC(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C(CCOCC2=NC3=CC=CC=C3S2)C(=O)NC(=O)OC

InChI

InChI=1S/C21H22N2O4S/c1-14-7-3-4-8-15(14)16(20(24)23-21(25)26-2)11-12-27-13-19-22-17-9-5-6-10-18(17)28-19/h3-10,16H,11-13H2,1-2H3,(H,23,24,25)