methyl 3-[[1,1-bis(oxidanylidene)thiolan-3-yl]carbonylamino]-4-chloranyl-benzoate

Systemtic Name: methyl 3-[[1,1-bis(oxidanylidene)thiolan-3-yl]carbonylamino]-4-chloranyl-benzoate Openeye Name: methyl 4-chloro-3-[(1,1-dioxothiolane-3-carbonyl)amino]benzoate CAS Name: 4-chloro-3-[[(1,1-dioxo-3-thiolanyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[(1,1-dioxothiolane-3-carbonyl)amino]benzoate Traditional Name: 4-chloro-3-[(1,1-diketothiolane-3-carbonyl)amino]benzoic acid methyl ester Formula: C13H14ClNO5S MolecularWeight: 331.77196

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2CCS(=O)(=O)C2

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2CCS(=O)(=O)C2

InChI

InChI=1S/C13H14ClNO5S/c1-20-13(17)8-2-3-10(14)11(6-8)15-12(16)9-4-5-21(18,19)7-9/h2-3,6,9H,4-5,7H2,1H3,(H,15,16)