2-ethylsulfanyl-2-methyl-3-(4-methylpiperazin-1-yl)carbonyl-butanedioic acid

Systemtic Name: 2-ethylsulfanyl-2-methyl-3-(4-methylpiperazin-1-yl)carbonyl-butanedioic acid Openeye Name: 2-ethylsulfanyl-2-methyl-3-(4-methylpiperazine-1-carbonyl)butanedioic acid CAS Name: 2-(ethylthio)-2-methyl-3-[(4-methyl-1-piperazinyl)-oxomethyl]butanedioic acid IUPAC Name: 2-ethylsulfanyl-2-methyl-3-(4-methylpiperazine-1-carbonyl)butanedioic acid Traditional Name: 2-(ethylthio)-2-methyl-3-(4-methylpiperazine-1-carbonyl)succinic acid Formula: C13H22N2O5S MolecularWeight: 318.38918

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C)(C(C(=O)N1CCN(CC1)C)C(=O)O)C(=O)O

Isomeric SMILES

CCSC(C)(C(C(=O)N1CCN(CC1)C)C(=O)O)C(=O)O

InChI

InChI=1S/C13H22N2O5S/c1-4-21-13(2,12(19)20)9(11(17)18)10(16)15-7-5-14(3)6-8-15/h9H,4-8H2,1-3H3,(H,17,18)(H,19,20)