2-[2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[4-(4-methylbenzoyl)piperazin-1-yl]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[4-(4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-keto-2-(4-p-toluoylpiperazino)ethyl]thio]acetic acid Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O4S/c1-12-2-4-13(5-3-12)16(22)18-8-6-17(7-9-18)14(19)10-23-11-15(20)21/h2-5H,6-11H2,1H3,(H,20,21)