methyl 4-(4-azanyl-2-chloranyl-phenyl)sulfanylbutanoate

Systemtic Name: methyl 4-(4-azanyl-2-chloranyl-phenyl)sulfanylbutanoate Openeye Name: methyl 4-(4-amino-2-chloro-phenyl)sulfanylbutanoate CAS Name: 4-[(4-amino-2-chlorophenyl)thio]butanoic acid methyl ester IUPAC Name: methyl 4-(4-amino-2-chlorophenyl)sulfanylbutanoate Traditional Name: 4-[(4-amino-2-chloro-phenyl)thio]butyric acid methyl ester Formula: C11H14ClNO2S MolecularWeight: 259.75236

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCSC1=C(C=C(C=C1)N)Cl

Isomeric SMILES

COC(=O)CCCSC1=C(C=C(C=C1)N)Cl

InChI

InChI=1S/C11H14ClNO2S/c1-15-11(14)3-2-6-16-10-5-4-8(13)7-9(10)12/h4-5,7H,2-3,6,13H2,1H3