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

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-butyl-amino]-2-oxidanylidene-ethyl] 3-acetamidobenzoate Openeye Name: [2-[butyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxo-ethyl] 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic 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] 3-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid [2-[butyl-[(3S)-1,1-diketothiolan-3-yl]amino]-2-keto-ethyl] ester Formula: C19H26N2O6S MolecularWeight: 410.48454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O6S/c1-3-4-9-21(17-8-10-28(25,26)13-17)18(23)12-27-19(24)15-6-5-7-16(11-15)20-14(2)22/h5-7,11,17H,3-4,8-10,12-13H2,1-2H3,(H,20,22)/t17-/m0/s1