methyl 2-[1-(2-azanyl-5-chloranyl-phenyl)-4-phenylmethoxy-butyl]sulfanylethanoate

Systemtic Name: methyl 2-[1-(2-azanyl-5-chloranyl-phenyl)-4-phenylmethoxy-butyl]sulfanylethanoate Openeye Name: methyl 2-[1-(2-amino-5-chloro-phenyl)-4-benzyloxy-butyl]sulfanylacetate CAS Name: 2-[[1-(2-amino-5-chlorophenyl)-4-phenylmethoxybutyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[1-(2-amino-5-chlorophenyl)-4-phenylmethoxybutyl]sulfanylacetate Traditional Name: 2-[[1-(2-amino-5-chloro-phenyl)-4-benzoxy-butyl]thio]acetic acid methyl ester Formula: C20H24ClNO3S MolecularWeight: 393.92746

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC(CCCOCC1=CC=CC=C1)C2=C(C=CC(=C2)Cl)N

Isomeric SMILES

COC(=O)CSC(CCCOCC1=CC=CC=C1)C2=C(C=CC(=C2)Cl)N

InChI

InChI=1S/C20H24ClNO3S/c1-24-20(23)14-26-19(17-12-16(21)9-10-18(17)22)8-5-11-25-13-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,19H,5,8,11,13-14,22H2,1H3