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

Systemtic Name: methyl 4-[2-(4-acetamidophenyl)sulfanylethanoylamino]butanoate Openeye Name: methyl 4-[[2-(4-acetamidophenyl)sulfanylacetyl]amino]butanoate CAS Name: 4-[[2-[(4-acetamidophenyl)thio]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-acetamidophenyl)sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[(4-acetamidophenyl)thio]acetyl]amino]butyric acid methyl ester Formula: C15H20N2O4S MolecularWeight: 324.3953

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC(=O)NCCCC(=O)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC(=O)NCCCC(=O)OC

InChI

InChI=1S/C15H20N2O4S/c1-11(18)17-12-5-7-13(8-6-12)22-10-14(19)16-9-3-4-15(20)21-2/h5-8H,3-4,9-10H2,1-2H3,(H,16,19)(H,17,18)