[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-butyl-amino]-2-oxidanylidene-ethyl] 2-acetamido-3-methyl-benzoate

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-butyl-amino]-2-oxidanylidene-ethyl] 2-acetamido-3-methyl-benzoate Openeye Name: [2-[butyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxo-ethyl] 2-acetamido-3-methyl-benzoate CAS Name: 2-acetamido-3-methylbenzoic acid [2-[butyl-[(3S)-1,1-dioxo-3-thiolanyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[butyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-acetamido-3-methylbenzoate Traditional Name: 2-acetamido-3-methyl-benzoic acid [2-[butyl-[(3S)-1,1-diketothiolan-3-yl]amino]-2-keto-ethyl] ester Formula: C20H28N2O6S MolecularWeight: 424.51112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(C(=CC=C2)C)NC(=O)C

Isomeric SMILES

CCCCN([C@H]1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(C(=CC=C2)C)NC(=O)C

InChI

InChI=1S/C20H28N2O6S/c1-4-5-10-22(16-9-11-29(26,27)13-16)18(24)12-28-20(25)17-8-6-7-14(2)19(17)21-15(3)23/h6-8,16H,4-5,9-13H2,1-3H3,(H,21,23)/t16-/m0/s1