[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl] 3-ethoxy-4-propoxy-benzoate

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl] 3-ethoxy-4-propoxy-benzoate Openeye Name: [2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxo-ethyl] 3-ethoxy-4-propoxy-benzoate CAS Name: 3-ethoxy-4-propoxybenzoic acid [2-[[(3S)-1,1-dioxo-3-thiolanyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate Traditional Name: 3-ethoxy-4-propoxy-benzoic acid [2-[[(3S)-1,1-diketothiolan-3-yl]amino]-2-keto-ethyl] ester Formula: C18H25NO7S MolecularWeight: 399.4586

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC2CCS(=O)(=O)C2)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)OCC

InChI

InChI=1S/C18H25NO7S/c1-3-8-25-15-6-5-13(10-16(15)24-4-2)18(21)26-11-17(20)19-14-7-9-27(22,23)12-14/h5-6,10,14H,3-4,7-9,11-12H2,1-2H3,(H,19,20)/t14-/m0/s1