[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-cyclopropyl-amino]-2-oxidanylidene-ethyl] 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-cyclopropyl-amino]-2-oxidanylidene-ethyl] 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [2-[cyclopropyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxo-ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [2-[cyclopropyl-[(3S)-1,1-dioxo-3-thiolanyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclopropyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [2-[cyclopropyl-[(3S)-1,1-diketothiolan-3-yl]amino]-2-keto-ethyl] ester Formula: C18H23NO6S2 MolecularWeight: 413.50832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)N(C2CC2)C3CCS(=O)(=O)C3

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)N([C@H]2CCS(=O)(=O)C2)C3CC3

InChI

InChI=1S/C18H23NO6S2/c1-24-16-9-14(26-2)5-6-15(16)18(21)25-10-17(20)19(12-3-4-12)13-7-8-27(22,23)11-13/h5-6,9,12-13H,3-4,7-8,10-11H2,1-2H3/t13-/m0/s1