methyl 2-[(2-aminophenyl)-(2,4-dimethylphenyl)methyl]sulfanylethanoate

Systemtic Name: methyl 2-[(2-aminophenyl)-(2,4-dimethylphenyl)methyl]sulfanylethanoate Openeye Name: methyl 2-[(2-aminophenyl)-(2,4-dimethylphenyl)methyl]sulfanylacetate CAS Name: 2-[[(2-aminophenyl)-(2,4-dimethylphenyl)methyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[(2-aminophenyl)-(2,4-dimethylphenyl)methyl]sulfanylacetate Traditional Name: 2-[[(2-aminophenyl)-(2,4-dimethylphenyl)methyl]thio]acetic acid methyl ester Formula: C18H21NO2S MolecularWeight: 315.42984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C2=CC=CC=C2N)SCC(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C2=CC=CC=C2N)SCC(=O)OC)C

InChI

InChI=1S/C18H21NO2S/c1-12-8-9-14(13(2)10-12)18(22-11-17(20)21-3)15-6-4-5-7-16(15)19/h4-10,18H,11,19H2,1-3H3