[1-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-1-oxidanylidene-propan-2-yl] 4-propoxybenzoate

Systemtic Name: [1-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-1-oxidanylidene-propan-2-yl] 4-propoxybenzoate Openeye Name: [2-[(1,1-dioxothiolan-3-yl)-methyl-amino]-1-methyl-2-oxo-ethyl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic 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] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [2-[(1,1-diketothiolan-3-yl)-methyl-amino]-2-keto-1-methyl-ethyl] ester Formula: C18H25NO6S MolecularWeight: 383.4592

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OC(C)C(=O)N(C)C2CCS(=O)(=O)C2

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)OC(C)C(=O)N(C)C2CCS(=O)(=O)C2

InChI

InChI=1S/C18H25NO6S/c1-4-10-24-16-7-5-14(6-8-16)18(21)25-13(2)17(20)19(3)15-9-11-26(22,23)12-15/h5-8,13,15H,4,9-12H2,1-3H3