methyl 2-[(5-azanyl-2-chloranyl-phenyl)-phenyl-methyl]sulfanylethanoate

Systemtic Name: methyl 2-[(5-azanyl-2-chloranyl-phenyl)-phenyl-methyl]sulfanylethanoate Openeye Name: methyl 2-[(5-amino-2-chloro-phenyl)-phenyl-methyl]sulfanylacetate CAS Name: 2-[[(5-amino-2-chlorophenyl)-phenylmethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[(5-amino-2-chlorophenyl)-phenylmethyl]sulfanylacetate Traditional Name: 2-[[(5-amino-2-chloro-phenyl)-phenyl-methyl]thio]acetic acid methyl ester Formula: C16H16ClNO2S MolecularWeight: 321.82174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClNO2S/c1-20-15(19)10-21-16(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)17/h2-9,16H,10,18H2,1H3