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

Systemtic Name: 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-[4-(2,3-dimethylphenyl)piperazino]-2-keto-ethyl]thio]acetic acid Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CSCC(=O)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CSCC(=O)O)C

InChI

InChI=1S/C16H22N2O3S/c1-12-4-3-5-14(13(12)2)17-6-8-18(9-7-17)15(19)10-22-11-16(20)21/h3-5H,6-11H2,1-2H3,(H,20,21)