methyl 2,4-bis(chloranyl)-6-(4-phenoxybutanethioylamino)benzoate

Systemtic Name: methyl 2,4-bis(chloranyl)-6-(4-phenoxybutanethioylamino)benzoate Openeye Name: methyl 2,4-dichloro-6-(4-phenoxybutanethioylamino)benzoate CAS Name: 2,4-dichloro-6-[(4-phenoxy-1-sulfanylidenebutyl)amino]benzoic acid methyl ester IUPAC Name: methyl 2,4-dichloro-6-(4-phenoxybutanethioylamino)benzoate Traditional Name: 2,4-dichloro-6-(4-phenoxybutanethioylamino)benzoic acid methyl ester Formula: C18H17Cl2NO3S MolecularWeight: 398.30348

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1NC(=S)CCCOC2=CC=CC=C2)Cl)Cl

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1NC(=S)CCCOC2=CC=CC=C2)Cl)Cl

InChI

InChI=1S/C18H17Cl2NO3S/c1-23-18(22)17-14(20)10-12(19)11-15(17)21-16(25)8-5-9-24-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,21,25)