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

Systemtic Name: ethyl 4-[[1,1-bis(oxidanylidene)thian-4-yl]amino]-3-bromanyl-benzoate Openeye Name: ethyl 3-bromo-4-[(1,1-dioxothian-4-yl)amino]benzoate CAS Name: 3-bromo-4-[(1,1-dioxo-4-thianyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-[(1,1-dioxothian-4-yl)amino]benzoate Traditional Name: 3-bromo-4-[(1,1-diketothian-4-yl)amino]benzoic acid ethyl ester Formula: C14H18BrNO4S MolecularWeight: 376.26602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC2CCS(=O)(=O)CC2)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC2CCS(=O)(=O)CC2)Br

InChI

InChI=1S/C14H18BrNO4S/c1-2-20-14(17)10-3-4-13(12(15)9-10)16-11-5-7-21(18,19)8-6-11/h3-4,9,11,16H,2,5-8H2,1H3