5-[[2-[(3,4-dichlorophenyl)methylsulfanyl]ethanoylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[2-[(3,4-dichlorophenyl)methylsulfanyl]ethanoylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[2-[(3,4-dichlorophenyl)methylthio]-1-oxoethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[2-[(3,4-dichlorobenzyl)thio]acetyl]amino]methyl]-2-methoxy-benzoic acid Formula: C18H17Cl2NO4S MolecularWeight: 414.30288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CSCC2=CC(=C(C=C2)Cl)Cl)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CSCC2=CC(=C(C=C2)Cl)Cl)C(=O)O

InChI

InChI=1S/C18H17Cl2NO4S/c1-25-16-5-3-11(6-13(16)18(23)24)8-21-17(22)10-26-9-12-2-4-14(19)15(20)7-12/h2-7H,8-10H2,1H3,(H,21,22)(H,23,24)