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

Systemtic Name: ethyl 2-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]sulfanyl]-2-methyl-propanoate Openeye Name: ethyl 2-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]sulfanyl]-2-methyl-propanoate CAS Name: 2-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]thio]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]sulfanyl]-2-methylpropanoate Traditional Name: 2-[[3-(4-chlorophenyl)indoxazen-6-yl]thio]-2-methyl-propionic acid ethyl ester Formula: C19H18ClNO3S MolecularWeight: 375.86912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)SC1=CC2=C(C=C1)C(=NO2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C(C)(C)SC1=CC2=C(C=C1)C(=NO2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H18ClNO3S/c1-4-23-18(22)19(2,3)25-14-9-10-15-16(11-14)24-21-17(15)12-5-7-13(20)8-6-12/h5-11H,4H2,1-3H3