[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-cyclohexyl-amino]-2-oxidanylidene-ethyl] 3-bromanylbenzoate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-cyclohexyl-amino]-2-oxidanylidene-ethyl] 3-bromanylbenzoate Openeye Name: [2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxo-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-[cyclohexyl-(1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-[cyclohexyl-(1,1-diketothiolan-3-yl)amino]-2-keto-ethyl] ester Formula: C19H24BrNO5S MolecularWeight: 458.36656

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCS(=O)(=O)C2)C(=O)COC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1CCC(CC1)N(C2CCS(=O)(=O)C2)C(=O)COC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C19H24BrNO5S/c20-15-6-4-5-14(11-15)19(23)26-12-18(22)21(16-7-2-1-3-8-16)17-9-10-27(24,25)13-17/h4-6,11,16-17H,1-3,7-10,12-13H2