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

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-cyclopentyl-amino]-2-oxidanylidene-ethyl] 4-propan-2-ylbenzoate Openeye Name: [2-[cyclopentyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxo-ethyl] 4-isopropylbenzoate CAS Name: 4-propan-2-ylbenzoic 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] 4-propan-2-ylbenzoate Traditional Name: 4-isopropylbenzoic acid [2-[cyclopentyl-[(3S)-1,1-diketothiolan-3-yl]amino]-2-keto-ethyl] ester Formula: C21H29NO5S MolecularWeight: 407.52366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO5S/c1-15(2)16-7-9-17(10-8-16)21(24)27-13-20(23)22(18-5-3-4-6-18)19-11-12-28(25,26)14-19/h7-10,15,18-19H,3-6,11-14H2,1-2H3/t19-/m0/s1