[2-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-cyclopentyl-amino]-2-oxidanylidene-ethyl] 4-tert-butylbenzoate

Systemtic Name: [2-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-cyclopentyl-amino]-2-oxidanylidene-ethyl] 4-tert-butylbenzoate Openeye Name: [2-[cyclopentyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxo-ethyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [2-[cyclopentyl-[(3R)-1,1-dioxo-3-thiolanyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclopentyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [2-[cyclopentyl-[(3R)-1,1-diketothiolan-3-yl]amino]-2-keto-ethyl] ester Formula: C22H31NO5S MolecularWeight: 421.55024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC(=O)N(C2CCCC2)C3CCS(=O)(=O)C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC(=O)N([C@@H]2CCS(=O)(=O)C2)C3CCCC3

InChI

InChI=1S/C22H31NO5S/c1-22(2,3)17-10-8-16(9-11-17)21(25)28-14-20(24)23(18-6-4-5-7-18)19-12-13-29(26,27)15-19/h8-11,18-19H,4-7,12-15H2,1-3H3/t19-/m1/s1