[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxo-ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-[(1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid [2-[(1,1-diketothiolan-3-yl)amino]-2-keto-ethyl] ester Formula: C18H24N2O8S2 MolecularWeight: 460.52176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2CCS(=O)(=O)C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2CCS(=O)(=O)C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H24N2O8S2/c1-27-15-5-4-13(10-16(15)30(25,26)20-7-2-3-8-20)18(22)28-11-17(21)19-14-6-9-29(23,24)12-14/h4-5,10,14H,2-3,6-9,11-12H2,1H3,(H,19,21)