methyl 4-chloranyl-2-[2-(2-methoxy-2-oxidanylidene-ethyl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-2-[2-(2-methoxy-2-oxidanylidene-ethyl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-chloro-2-[[2-(2-methoxy-2-oxo-ethyl)sulfanylacetyl]amino]benzoate CAS Name: 4-chloro-2-[[2-[(2-methoxy-2-oxoethyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-2-[[2-(2-methoxy-2-oxoethyl)sulfanylacetyl]amino]benzoate Traditional Name: 4-chloro-2-[[2-[(2-keto-2-methoxy-ethyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C13H14ClNO5S MolecularWeight: 331.77196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCC(=O)NC1=C(C=CC(=C1)Cl)C(=O)OC

Isomeric SMILES

COC(=O)CSCC(=O)NC1=C(C=CC(=C1)Cl)C(=O)OC

InChI

InChI=1S/C13H14ClNO5S/c1-19-12(17)7-21-6-11(16)15-10-5-8(14)3-4-9(10)13(18)20-2/h3-5H,6-7H2,1-2H3,(H,15,16)