4-chloranyl-3-[2-(3-methoxy-3-oxidanylidene-propyl)sulfanylethanoylamino]benzoic acid

Systemtic Name: 4-chloranyl-3-[2-(3-methoxy-3-oxidanylidene-propyl)sulfanylethanoylamino]benzoic acid Openeye Name: 4-chloro-3-[[2-(3-methoxy-3-oxo-propyl)sulfanylacetyl]amino]benzoic acid CAS Name: 4-chloro-3-[[2-[(3-methoxy-3-oxopropyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[2-(3-methoxy-3-oxopropyl)sulfanylacetyl]amino]benzoic acid Traditional Name: 4-chloro-3-[[2-[(3-keto-3-methoxy-propyl)thio]acetyl]amino]benzoic acid Formula: C13H14ClNO5S MolecularWeight: 331.77196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC(=O)NC1=C(C=CC(=C1)C(=O)O)Cl

Isomeric SMILES

COC(=O)CCSCC(=O)NC1=C(C=CC(=C1)C(=O)O)Cl

InChI

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