[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-cyclohexyl-amino]-2-oxidanylidene-ethyl] 4-methoxy-2-oxidanyl-benzoate

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-cyclohexyl-amino]-2-oxidanylidene-ethyl] 4-methoxy-2-oxidanyl-benzoate Openeye Name: [2-[cyclohexyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxo-ethyl] 2-hydroxy-4-methoxy-benzoate CAS Name: 2-hydroxy-4-methoxybenzoic acid [2-[cyclohexyl-[(3S)-1,1-dioxo-3-thiolanyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-hydroxy-4-methoxybenzoate Traditional Name: 2-hydroxy-4-methoxy-benzoic acid [2-[cyclohexyl-[(3S)-1,1-diketothiolan-3-yl]amino]-2-keto-ethyl] ester Formula: C20H27NO7S MolecularWeight: 425.49588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)OCC(=O)N(C2CCCCC2)C3CCS(=O)(=O)C3)O

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)OCC(=O)N([C@H]2CCS(=O)(=O)C2)C3CCCCC3)O

InChI

InChI=1S/C20H27NO7S/c1-27-16-7-8-17(18(22)11-16)20(24)28-12-19(23)21(14-5-3-2-4-6-14)15-9-10-29(25,26)13-15/h7-8,11,14-15,22H,2-6,9-10,12-13H2,1H3/t15-/m0/s1