butyl 4-[2-[(2-methylphenyl)methylsulfanyl]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[(2-methylphenyl)methylsulfanyl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(o-tolylmethylsulfanyl)acetyl]amino]benzoate CAS Name: 4-[[2-[(2-methylphenyl)methylthio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(2-methylbenzyl)thio]acetyl]amino]benzoic acid butyl ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSCC2=CC=CC=C2C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSCC2=CC=CC=C2C

InChI

InChI=1S/C21H25NO3S/c1-3-4-13-25-21(24)17-9-11-19(12-10-17)22-20(23)15-26-14-18-8-6-5-7-16(18)2/h5-12H,3-4,13-15H2,1-2H3,(H,22,23)