2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-[4-(3-chlorophenyl)piperazino]-2-keto-ethyl]thio]acetic acid Formula: C14H17ClN2O3S MolecularWeight: 328.81438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CSCC(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CSCC(=O)O

InChI

InChI=1S/C14H17ClN2O3S/c15-11-2-1-3-12(8-11)16-4-6-17(7-5-16)13(18)9-21-10-14(19)20/h1-3,8H,4-7,9-10H2,(H,19,20)