[1-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-1-oxidanylidene-propan-2-yl] 3,5-diacetamidobenzoate

Systemtic Name: [1-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-1-oxidanylidene-propan-2-yl] 3,5-diacetamidobenzoate Openeye Name: [2-[(1,1-dioxothiolan-3-yl)-methyl-amino]-1-methyl-2-oxo-ethyl] 3,5-diacetamidobenzoate CAS Name: 3,5-diacetamidobenzoic acid [1-[(1,1-dioxo-3-thiolanyl)-methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1,1-dioxothiolan-3-yl)-methylamino]-1-oxopropan-2-yl] 3,5-diacetamidobenzoate Traditional Name: 3,5-diacetamidobenzoic acid [2-[(1,1-diketothiolan-3-yl)-methyl-amino]-2-keto-1-methyl-ethyl] ester Formula: C19H25N3O7S MolecularWeight: 439.4827

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1CCS(=O)(=O)C1)OC(=O)C2=CC(=CC(=C2)NC(=O)C)NC(=O)C

Isomeric SMILES

CC(C(=O)N(C)C1CCS(=O)(=O)C1)OC(=O)C2=CC(=CC(=C2)NC(=O)C)NC(=O)C

InChI

InChI=1S/C19H25N3O7S/c1-11(18(25)22(4)17-5-6-30(27,28)10-17)29-19(26)14-7-15(20-12(2)23)9-16(8-14)21-13(3)24/h7-9,11,17H,5-6,10H2,1-4H3,(H,20,23)(H,21,24)