[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-cyclopropyl-amino]-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-cyclopropyl-amino]-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate Openeye Name: [2-[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]-2-oxo-ethyl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [2-[cyclopropyl-(1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [2-[cyclopropyl-(1,1-diketothiolan-3-yl)amino]-2-keto-ethyl] ester Formula: C18H23NO5S MolecularWeight: 365.44392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OCC(=O)N(C2CC2)C3CCS(=O)(=O)C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OCC(=O)N(C2CC2)C3CCS(=O)(=O)C3)C

InChI

InChI=1S/C18H23NO5S/c1-12-7-13(2)9-14(8-12)18(21)24-10-17(20)19(15-3-4-15)16-5-6-25(22,23)11-16/h7-9,15-16H,3-6,10-11H2,1-2H3