4-[2-(2-methoxyphenyl)sulfanylbutanoylamino]benzoic acid

Systemtic Name: 4-[2-(2-methoxyphenyl)sulfanylbutanoylamino]benzoic acid Openeye Name: 4-[2-(2-methoxyphenyl)sulfanylbutanoylamino]benzoic acid CAS Name: 4-[[2-[(2-methoxyphenyl)thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 4-[2-(2-methoxyphenyl)sulfanylbutanoylamino]benzoic acid Traditional Name: 4-[2-[(2-methoxyphenyl)thio]butanoylamino]benzoic acid Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=CC=CC=C2OC

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=CC=CC=C2OC

InChI

InChI=1S/C18H19NO4S/c1-3-15(24-16-7-5-4-6-14(16)23-2)17(20)19-13-10-8-12(9-11-13)18(21)22/h4-11,15H,3H2,1-2H3,(H,19,20)(H,21,22)