[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-cyclohexyl-amino]-2-oxidanylidene-ethyl] 2,4-dimethylbenzoate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-cyclohexyl-amino]-2-oxidanylidene-ethyl] 2,4-dimethylbenzoate Openeye Name: [2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxo-ethyl] 2,4-dimethylbenzoate CAS Name: 2,4-dimethylbenzoic acid [2-[cyclohexyl-(1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2,4-dimethylbenzoate Traditional Name: 2,4-dimethylbenzoic acid [2-[cyclohexyl-(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:

CC1=CC(=C(C=C1)C(=O)OCC(=O)N(C2CCCCC2)C3CCS(=O)(=O)C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)OCC(=O)N(C2CCCCC2)C3CCS(=O)(=O)C3)C

InChI

InChI=1S/C21H29NO5S/c1-15-8-9-19(16(2)12-15)21(24)27-13-20(23)22(17-6-4-3-5-7-17)18-10-11-28(25,26)14-18/h8-9,12,17-18H,3-7,10-11,13-14H2,1-2H3