[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl] 3-bromanyl-4-methoxy-benzoate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl] 3-bromanyl-4-methoxy-benzoate Openeye Name: [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxo-ethyl] 3-bromo-4-methoxy-benzoate CAS Name: 3-bromo-4-methoxybenzoic acid [2-[(1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3-bromo-4-methoxybenzoate Traditional Name: 3-bromo-4-methoxy-benzoic acid [2-[(1,1-diketothiolan-3-yl)amino]-2-keto-ethyl] ester Formula: C14H16BrNO6S MolecularWeight: 406.24894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2CCS(=O)(=O)C2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2CCS(=O)(=O)C2)Br

InChI

InChI=1S/C14H16BrNO6S/c1-21-12-3-2-9(6-11(12)15)14(18)22-7-13(17)16-10-4-5-23(19,20)8-10/h2-3,6,10H,4-5,7-8H2,1H3,(H,16,17)