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

Systemtic Name: ethyl 4-[2-[(3,5-dimethylphenyl)methylsulfanyl]ethanoylamino]-3-methyl-benzoate Openeye Name: ethyl 4-[[2-[(3,5-dimethylphenyl)methylsulfanyl]acetyl]amino]-3-methyl-benzoate CAS Name: 4-[[2-[(3,5-dimethylphenyl)methylthio]-1-oxoethyl]amino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(3,5-dimethylphenyl)methylsulfanyl]acetyl]amino]-3-methylbenzoate Traditional Name: 4-[[2-[(3,5-dimethylbenzyl)thio]acetyl]amino]-3-methyl-benzoic acid ethyl ester Formula: C21H25NO3S MolecularWeight: 371.4931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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