[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-cyclohexyl-amino]-2-oxidanylidene-ethyl] 5-methyl-2-oxidanyl-benzoate

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-cyclohexyl-amino]-2-oxidanylidene-ethyl] 5-methyl-2-oxidanyl-benzoate Openeye Name: [2-[cyclohexyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxo-ethyl] 2-hydroxy-5-methyl-benzoate CAS Name: 2-hydroxy-5-methylbenzoic 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-5-methylbenzoate Traditional Name: 2-hydroxy-5-methyl-benzoic acid [2-[cyclohexyl-[(3S)-1,1-diketothiolan-3-yl]amino]-2-keto-ethyl] ester Formula: C20H27NO6S MolecularWeight: 409.49648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(=O)OCC(=O)N(C2CCCCC2)C3CCS(=O)(=O)C3

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(=O)OCC(=O)N([C@H]2CCS(=O)(=O)C2)C3CCCCC3

InChI

InChI=1S/C20H27NO6S/c1-14-7-8-18(22)17(11-14)20(24)27-12-19(23)21(15-5-3-2-4-6-15)16-9-10-28(25,26)13-16/h7-8,11,15-16,22H,2-6,9-10,12-13H2,1H3/t16-/m0/s1