methyl 2-[(2-azanyl-5-chloranyl-phenyl)-(3-methylphenyl)methyl]sulfanylethanoate

Systemtic Name: methyl 2-[(2-azanyl-5-chloranyl-phenyl)-(3-methylphenyl)methyl]sulfanylethanoate Openeye Name: methyl 2-[(2-amino-5-chloro-phenyl)-(m-tolyl)methyl]sulfanylacetate CAS Name: 2-[[(2-amino-5-chlorophenyl)-(3-methylphenyl)methyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[(2-amino-5-chlorophenyl)-(3-methylphenyl)methyl]sulfanylacetate Traditional Name: 2-[[(2-amino-5-chloro-phenyl)-(m-tolyl)methyl]thio]acetic acid methyl ester Formula: C17H18ClNO2S MolecularWeight: 335.84832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2=C(C=CC(=C2)Cl)N)SCC(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)C(C2=C(C=CC(=C2)Cl)N)SCC(=O)OC

InChI

InChI=1S/C17H18ClNO2S/c1-11-4-3-5-12(8-11)17(22-10-16(20)21-2)14-9-13(18)6-7-15(14)19/h3-9,17H,10,19H2,1-2H3