methyl 3-[[1,1-bis(oxidanylidene)thian-4-yl]amino]-4-chloranyl-benzoate

Systemtic Name: methyl 3-[[1,1-bis(oxidanylidene)thian-4-yl]amino]-4-chloranyl-benzoate Openeye Name: methyl 4-chloro-3-[(1,1-dioxothian-4-yl)amino]benzoate CAS Name: 4-chloro-3-[(1,1-dioxo-4-thianyl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[(1,1-dioxothian-4-yl)amino]benzoate Traditional Name: 4-chloro-3-[(1,1-diketothian-4-yl)amino]benzoic acid methyl ester Formula: C13H16ClNO4S MolecularWeight: 317.78844

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC2CCS(=O)(=O)CC2

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC2CCS(=O)(=O)CC2

InChI

InChI=1S/C13H16ClNO4S/c1-19-13(16)9-2-3-11(14)12(8-9)15-10-4-6-20(17,18)7-5-10/h2-3,8,10,15H,4-7H2,1H3