[2-[4-[1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-1-yl]-2-oxidanylidene-ethyl] 4-methyl-3-oxidanyl-benzoate

Systemtic Name: [2-[4-[1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-1-yl]-2-oxidanylidene-ethyl] 4-methyl-3-oxidanyl-benzoate Openeye Name: [2-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-oxo-ethyl] 3-hydroxy-4-methyl-benzoate CAS Name: 3-hydroxy-4-methylbenzoic acid [2-[4-(1,1-dioxo-3-thiolanyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-oxoethyl] 3-hydroxy-4-methylbenzoate Traditional Name: 3-hydroxy-4-methyl-benzoic acid [2-[4-(1,1-diketothiolan-3-yl)piperazino]-2-keto-ethyl] ester Formula: C18H24N2O6S MolecularWeight: 396.45796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)C3CCS(=O)(=O)C3)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)C3CCS(=O)(=O)C3)O

InChI

InChI=1S/C18H24N2O6S/c1-13-2-3-14(10-16(13)21)18(23)26-11-17(22)20-7-5-19(6-8-20)15-4-9-27(24,25)12-15/h2-3,10,15,21H,4-9,11-12H2,1H3