methyl 4-[2-(4-acetamidophenyl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(4-acetamidophenyl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-(4-acetamidophenyl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(4-acetamidophenyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-acetamidophenyl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(4-acetamidophenyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H18N2O4S/c1-12(21)19-14-7-9-16(10-8-14)25-11-17(22)20-15-5-3-13(4-6-15)18(23)24-2/h3-10H,11H2,1-2H3,(H,19,21)(H,20,22)