methyl 3-[2-[(2,5-dimethylphenyl)methylsulfanyl]ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[(2,5-dimethylphenyl)methylsulfanyl]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[(2,5-dimethylphenyl)methylsulfanyl]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[(2,5-dimethylphenyl)methylthio]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(2,5-dimethylphenyl)methylsulfanyl]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(2,5-dimethylbenzyl)thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C

InChI

InChI=1S/C20H23NO3S/c1-13-5-6-14(2)17(9-13)11-25-12-19(22)21-18-10-16(20(23)24-4)8-7-15(18)3/h5-10H,11-12H2,1-4H3,(H,21,22)