2-[4-(1-benzothiophen-7-yl)piperazin-1-yl]oxy-2-oxidanylidene-ethanoic acid; 5-chloranyl-1-ethyl-indole

Systemtic Name: 2-[4-(1-benzothiophen-7-yl)piperazin-1-yl]oxy-2-oxidanylidene-ethanoic acid; 5-chloranyl-1-ethyl-indole Openeye Name: 2-[4-(benzothiophen-7-yl)piperazin-1-yl]oxy-2-oxo-acetic acid; 5-chloro-1-ethyl-indole CAS Name: 2-[[4-(1-benzothiophen-7-yl)-1-piperazinyl]oxy]-2-oxoacetic acid; 5-chloro-1-ethylindole IUPAC Name: 2-[4-(1-benzothiophen-7-yl)piperazin-1-yl]oxy-2-oxoacetic acid; 5-chloro-1-ethylindole Traditional Name: 2-[4-(benzothiophen-7-yl)piperazino]oxy-2-keto-acetic acid; 5-chloro-1-ethyl-indole Formula: C24H24ClN3O4S MolecularWeight: 485.98306

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC2=C1C=CC(=C2)Cl.C1CN(CCN1C2=CC=CC3=C2SC=C3)OC(=O)C(=O)O

Isomeric SMILES

CCN1C=CC2=C1C=CC(=C2)Cl.C1CN(CCN1C2=CC=CC3=C2SC=C3)OC(=O)C(=O)O

InChI

InChI=1S/C14H14N2O4S.C10H10ClN/c17-13(18)14(19)20-16-7-5-15(6-8-16)11-3-1-2-10-4-9-21-12(10)11;1-2-12-6-5-8-7-9(11)3-4-10(8)12/h1-4,9H,5-8H2,(H,17,18);3-7H,2H2,1H3