ethyl 2-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]sulfonyl]-2-methyl-propanoate

Systemtic Name: ethyl 2-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]sulfonyl]-2-methyl-propanoate Openeye Name: ethyl 2-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]sulfonyl]-2-methyl-propanoate CAS Name: 2-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]sulfonyl]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]sulfonyl]-2-methylpropanoate Traditional Name: 2-[3-(4-chlorophenyl)indoxazen-6-yl]sulfonyl-2-methyl-propionic acid ethyl ester Formula: C19H18ClNO5S MolecularWeight: 407.86792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)S(=O)(=O)C1=CC2=C(C=C1)C(=NO2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C(C)(C)S(=O)(=O)C1=CC2=C(C=C1)C(=NO2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H18ClNO5S/c1-4-25-18(22)19(2,3)27(23,24)14-9-10-15-16(11-14)26-21-17(15)12-5-7-13(20)8-6-12/h5-11H,4H2,1-3H3