(phenylmethyl) 2-(5-chloranyl-2-benzothiophen-1-yl)-3-methyl-butanoate

Systemtic Name: (phenylmethyl) 2-(5-chloranyl-2-benzothiophen-1-yl)-3-methyl-butanoate Openeye Name: benzyl 2-(5-chloro-2-benzothiophen-1-yl)-3-methyl-butanoate CAS Name: 2-(5-chloro-2-benzothiophen-1-yl)-3-methylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(5-chloro-2-benzothiophen-1-yl)-3-methylbutanoate Traditional Name: 2-(5-chloroisobenzothiophen-1-yl)-3-methyl-butyric acid benzyl ester Formula: C20H19ClO2S MolecularWeight: 358.88166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=C2C=CC(=CC2=CS1)Cl)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C1=C2C=CC(=CC2=CS1)Cl)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H19ClO2S/c1-13(2)18(20(22)23-11-14-6-4-3-5-7-14)19-17-9-8-16(21)10-15(17)12-24-19/h3-10,12-13,18H,11H2,1-2H3