1-(1-benzothiophen-3-yl)-4-(diethylamino)butan-1-one; 2-(4-chloranylphenoxy)-2-methyl-propanoic acid

Systemtic Name: 1-(1-benzothiophen-3-yl)-4-(diethylamino)butan-1-one; 2-(4-chloranylphenoxy)-2-methyl-propanoic acid Openeye Name: 1-(benzothiophen-3-yl)-4-(diethylamino)butan-1-one; 2-(4-chlorophenoxy)-2-methyl-propanoic acid CAS Name: 1-(1-benzothiophen-3-yl)-4-(diethylamino)-1-butanone; 2-(4-chlorophenoxy)-2-methylpropanoic acid IUPAC Name: 1-(1-benzothiophen-3-yl)-4-(diethylamino)butan-1-one; 2-(4-chlorophenoxy)-2-methylpropanoic acid Traditional Name: 1-(benzothiophen-3-yl)-4-(diethylamino)butan-1-one; 2-(4-chlorophenoxy)-2-methyl-propionic acid Formula: C26H32ClNO4S MolecularWeight: 490.05458

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(=O)C1=CSC2=CC=CC=C21.CC(C)(C(=O)O)OC1=CC=C(C=C1)Cl

Isomeric SMILES

CCN(CC)CCCC(=O)C1=CSC2=CC=CC=C21.CC(C)(C(=O)O)OC1=CC=C(C=C1)Cl

InChI

InChI=1S/C16H21NOS.C10H11ClO3/c1-3-17(4-2)11-7-9-15(18)14-12-19-16-10-6-5-8-13(14)16;1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h5-6,8,10,12H,3-4,7,9,11H2,1-2H3;3-6H,1-2H3,(H,12,13)