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

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-butan-2-yl-amino]-2-oxidanylidene-ethyl] 3,4-diethoxybenzoate Openeye Name: [2-[(1,1-dioxothiolan-3-yl)-sec-butyl-amino]-2-oxo-ethyl] 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic acid [2-[butan-2-yl-(1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[butan-2-yl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic acid [2-[(1,1-diketothiolan-3-yl)-sec-butyl-amino]-2-keto-ethyl] ester Formula: C21H31NO7S MolecularWeight: 441.53834

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=C(C=C2)OCC)OCC

Isomeric SMILES

CCC(C)N(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=C(C=C2)OCC)OCC

InChI

InChI=1S/C21H31NO7S/c1-5-15(4)22(17-10-11-30(25,26)14-17)20(23)13-29-21(24)16-8-9-18(27-6-2)19(12-16)28-7-3/h8-9,12,15,17H,5-7,10-11,13-14H2,1-4H3