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

Systemtic Name: ethyl 3-[2-[(3,5-dimethylphenyl)methylsulfanyl]ethanoylamino]-2-methyl-benzoate Openeye Name: ethyl 3-[[2-[(3,5-dimethylphenyl)methylsulfanyl]acetyl]amino]-2-methyl-benzoate CAS Name: 3-[[2-[(3,5-dimethylphenyl)methylthio]-1-oxoethyl]amino]-2-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(3,5-dimethylphenyl)methylsulfanyl]acetyl]amino]-2-methylbenzoate Traditional Name: 3-[[2-[(3,5-dimethylbenzyl)thio]acetyl]amino]-2-methyl-benzoic acid ethyl ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC=C1)NC(=O)CSCC2=CC(=CC(=C2)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=CC=C1)NC(=O)CSCC2=CC(=CC(=C2)C)C)C

InChI

InChI=1S/C21H25NO3S/c1-5-25-21(24)18-7-6-8-19(16(18)4)22-20(23)13-26-12-17-10-14(2)9-15(3)11-17/h6-11H,5,12-13H2,1-4H3,(H,22,23)