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

Systemtic Name: [2-[4-[1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-1-yl]-2-oxidanylidene-ethyl] 2-azanyl-3-methyl-benzoate Openeye Name: [2-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-oxo-ethyl] 2-amino-3-methyl-benzoate CAS Name: 2-amino-3-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] 2-amino-3-methylbenzoate Traditional Name: 2-amino-3-methyl-benzoic acid [2-[4-(1,1-diketothiolan-3-yl)piperazino]-2-keto-ethyl] ester Formula: C18H25N3O5S MolecularWeight: 395.4732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1N)C(=O)OCC(=O)N2CCN(CC2)C3CCS(=O)(=O)C3

Isomeric SMILES

CC1=CC=CC(=C1N)C(=O)OCC(=O)N2CCN(CC2)C3CCS(=O)(=O)C3

InChI

InChI=1S/C18H25N3O5S/c1-13-3-2-4-15(17(13)19)18(23)26-11-16(22)21-8-6-20(7-9-21)14-5-10-27(24,25)12-14/h2-4,14H,5-12,19H2,1H3