[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-cyclopentyl-amino]-2-oxidanylidene-ethyl] 3-methylbenzoate

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-cyclopentyl-amino]-2-oxidanylidene-ethyl] 3-methylbenzoate Openeye Name: [2-[cyclopentyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxo-ethyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2-[cyclopentyl-[(3S)-1,1-dioxo-3-thiolanyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclopentyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [2-[cyclopentyl-[(3S)-1,1-diketothiolan-3-yl]amino]-2-keto-ethyl] ester Formula: C19H25NO5S MolecularWeight: 379.4705

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCC(=O)N(C2CCCC2)C3CCS(=O)(=O)C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCC(=O)N([C@H]2CCS(=O)(=O)C2)C3CCCC3

InChI

InChI=1S/C19H25NO5S/c1-14-5-4-6-15(11-14)19(22)25-12-18(21)20(16-7-2-3-8-16)17-9-10-26(23,24)13-17/h4-6,11,16-17H,2-3,7-10,12-13H2,1H3/t17-/m0/s1