methyl 4-[[2-(4-tert-butylphenyl)sulfanylethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(4-tert-butylphenyl)sulfanylethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(4-tert-butylphenyl)thio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(4-tert-butylphenyl)thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SCC(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SCC(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

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