methyl 2-[(2-azanyl-5-chloranyl-phenyl)-(3,4-dimethylphenyl)methyl]sulfanylethanoate

Systemtic Name: methyl 2-[(2-azanyl-5-chloranyl-phenyl)-(3,4-dimethylphenyl)methyl]sulfanylethanoate Openeye Name: methyl 2-[(2-amino-5-chloro-phenyl)-(3,4-dimethylphenyl)methyl]sulfanylacetate CAS Name: 2-[[(2-amino-5-chlorophenyl)-(3,4-dimethylphenyl)methyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[(2-amino-5-chlorophenyl)-(3,4-dimethylphenyl)methyl]sulfanylacetate Traditional Name: 2-[[(2-amino-5-chloro-phenyl)-(3,4-dimethylphenyl)methyl]thio]acetic acid methyl ester Formula: C18H20ClNO2S MolecularWeight: 349.8749

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClNO2S/c1-11-4-5-13(8-12(11)2)18(23-10-17(21)22-3)15-9-14(19)6-7-16(15)20/h4-9,18H,10,20H2,1-3H3