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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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