2,4-bis(chloranyl)-6-[5-(3-methoxycarbonylphenyl)pentanethioylamino]benzoic acid

Systemtic Name: 2,4-bis(chloranyl)-6-[5-(3-methoxycarbonylphenyl)pentanethioylamino]benzoic acid Openeye Name: 2,4-dichloro-6-[5-(3-methoxycarbonylphenyl)pentanethioylamino]benzoic acid CAS Name: 2,4-dichloro-6-[[5-(3-methoxycarbonylphenyl)-1-sulfanylidenepentyl]amino]benzoic acid IUPAC Name: 2,4-dichloro-6-[5-(3-methoxycarbonylphenyl)pentanethioylamino]benzoic acid Traditional Name: 2-[5-(3-carbomethoxyphenyl)pentanethioylamino]-4,6-dichloro-benzoic acid Formula: C20H19Cl2NO4S MolecularWeight: 440.34016

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CCCCC(=S)NC2=CC(=CC(=C2C(=O)O)Cl)Cl

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CCCCC(=S)NC2=CC(=CC(=C2C(=O)O)Cl)Cl

InChI

InChI=1S/C20H19Cl2NO4S/c1-27-20(26)13-7-4-6-12(9-13)5-2-3-8-17(28)23-16-11-14(21)10-15(22)18(16)19(24)25/h4,6-7,9-11H,2-3,5,8H2,1H3,(H,23,28)(H,24,25)