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

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-cyclohexyl-amino]-2-oxidanylidene-ethyl] 3,4-dimethylbenzoate Openeye Name: [2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxo-ethyl] 3,4-dimethylbenzoate CAS Name: 3,4-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] 3,4-dimethylbenzoate Traditional Name: 3,4-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=C(C=C(C=C1)C(=O)OCC(=O)N(C2CCCCC2)C3CCS(=O)(=O)C3)C

Isomeric SMILES

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

InChI

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