5-[[4-(4-chlorophenyl)sulfanylbutanoylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[4-(4-chlorophenyl)sulfanylbutanoylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[4-(4-chlorophenyl)sulfanylbutanoylamino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[4-[(4-chlorophenyl)thio]-1-oxobutyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[4-(4-chlorophenyl)sulfanylbutanoylamino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[4-[(4-chlorophenyl)thio]butanoylamino]methyl]-2-methoxy-benzoic acid Formula: C19H20ClNO4S MolecularWeight: 393.8844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CCCSC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CCCSC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C19H20ClNO4S/c1-25-17-9-4-13(11-16(17)19(23)24)12-21-18(22)3-2-10-26-15-7-5-14(20)6-8-15/h4-9,11H,2-3,10,12H2,1H3,(H,21,22)(H,23,24)