methyl 5-[[4-[2-[2,4-bis(chloranyl)-5-methyl-phenyl]sulfanylethanoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[2-[2,4-bis(chloranyl)-5-methyl-phenyl]sulfanylethanoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[2-(2,4-dichloro-5-methyl-phenyl)sulfanylacetyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[2-[(2,4-dichloro-5-methylphenyl)thio]-1-oxoethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[2-(2,4-dichloro-5-methylphenyl)sulfanylacetyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[2-[(2,4-dichloro-5-methyl-phenyl)thio]acetyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C21H24Cl2N2O4S MolecularWeight: 471.39726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)Cl)SCC(=O)N2CCCN(CC2)CC3=CC=C(O3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1Cl)Cl)SCC(=O)N2CCCN(CC2)CC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C21H24Cl2N2O4S/c1-14-10-19(17(23)11-16(14)22)30-13-20(26)25-7-3-6-24(8-9-25)12-15-4-5-18(29-15)21(27)28-2/h4-5,10-11H,3,6-9,12-13H2,1-2H3