ethyl 4-[2-(3-acetamidophenyl)sulfanylbutanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(3-acetamidophenyl)sulfanylbutanoylamino]benzoate Openeye Name: ethyl 4-[2-(3-acetamidophenyl)sulfanylbutanoylamino]benzoate CAS Name: 4-[[2-[(3-acetamidophenyl)thio]-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-acetamidophenyl)sulfanylbutanoylamino]benzoate Traditional Name: 4-[2-[(3-acetamidophenyl)thio]butanoylamino]benzoic acid ethyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=CC=CC(=C2)NC(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=CC=CC(=C2)NC(=O)C

InChI

InChI=1S/C21H24N2O4S/c1-4-19(28-18-8-6-7-17(13-18)22-14(3)24)20(25)23-16-11-9-15(10-12-16)21(26)27-5-2/h6-13,19H,4-5H2,1-3H3,(H,22,24)(H,23,25)