butyl 4-[2-(3-acetamidophenyl)sulfanylethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(3-acetamidophenyl)sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-(3-acetamidophenyl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(3-acetamidophenyl)thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(3-acetamidophenyl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(3-acetamidophenyl)thio]acetyl]amino]benzoic acid butyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC(=C2)NC(=O)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC(=C2)NC(=O)C

InChI

InChI=1S/C21H24N2O4S/c1-3-4-12-27-21(26)16-8-10-17(11-9-16)23-20(25)14-28-19-7-5-6-18(13-19)22-15(2)24/h5-11,13H,3-4,12,14H2,1-2H3,(H,22,24)(H,23,25)