methyl 3-azanyl-4-(2-chloroethylsulfanyl)benzoate

Systemtic Name: methyl 3-azanyl-4-(2-chloroethylsulfanyl)benzoate Openeye Name: methyl 3-amino-4-(2-chloroethylsulfanyl)benzoate CAS Name: 3-amino-4-(2-chloroethylthio)benzoic acid methyl ester IUPAC Name: methyl 3-amino-4-(2-chloroethylsulfanyl)benzoate Traditional Name: 3-amino-4-(2-chloroethylthio)benzoic acid methyl ester Formula: C10H12ClNO2S MolecularWeight: 245.72578

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)SCCCl)N

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)SCCCl)N

InChI

InChI=1S/C10H12ClNO2S/c1-14-10(13)7-2-3-9(8(12)6-7)15-5-4-11/h2-3,6H,4-5,12H2,1H3