[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-cyclohexyl-amino]-2-oxidanylidene-ethyl] 4-propan-2-yloxybenzoate

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-cyclohexyl-amino]-2-oxidanylidene-ethyl] 4-propan-2-yloxybenzoate Openeye Name: [2-[cyclohexyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxo-ethyl] 4-isopropoxybenzoate CAS Name: 4-propan-2-yloxybenzoic 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] 4-propan-2-yloxybenzoate Traditional Name: 4-isopropoxybenzoic acid [2-[cyclohexyl-[(3S)-1,1-diketothiolan-3-yl]amino]-2-keto-ethyl] ester Formula: C22H31NO6S MolecularWeight: 437.54964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)OCC(=O)N(C2CCCCC2)C3CCS(=O)(=O)C3

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)OCC(=O)N([C@H]2CCS(=O)(=O)C2)C3CCCCC3

InChI

InChI=1S/C22H31NO6S/c1-16(2)29-20-10-8-17(9-11-20)22(25)28-14-21(24)23(18-6-4-3-5-7-18)19-12-13-30(26,27)15-19/h8-11,16,18-19H,3-7,12-15H2,1-2H3/t19-/m0/s1