methyl 4-[[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[2-(3,5-dimethylphenoxy)ethylthio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[2-(3,5-dimethylphenoxy)ethylthio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCSCC(=O)NCC2=CC=C(C=C2)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCSCC(=O)NCC2=CC=C(C=C2)C(=O)OC)C

InChI

InChI=1S/C21H25NO4S/c1-15-10-16(2)12-19(11-15)26-8-9-27-14-20(23)22-13-17-4-6-18(7-5-17)21(24)25-3/h4-7,10-12H,8-9,13-14H2,1-3H3,(H,22,23)