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

Systemtic Name: ethyl N-[2-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]propanoyl]carbamate Openeye Name: ethyl N-[2-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]propanoyl]carbamate CAS Name: N-[2-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-1-oxopropyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]propanoyl]carbamate Traditional Name: N-[2-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]propanoyl]carbamic acid ethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)C(C)C1=C(C=C(C=C1)OCC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CCOC(=O)NC(=O)C(C)C1=C(C=C(C=C1)OCC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C21H22N2O4S/c1-4-26-21(25)23-20(24)14(3)16-10-9-15(11-13(16)2)27-12-19-22-17-7-5-6-8-18(17)28-19/h5-11,14H,4,12H2,1-3H3,(H,23,24,25)