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

Systemtic Name: methyl 4-[2-(2-aminophenyl)sulfanylethanoylamino]butanoate Openeye Name: methyl 4-[[2-(2-aminophenyl)sulfanylacetyl]amino]butanoate CAS Name: 4-[[2-[(2-aminophenyl)thio]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-(2-aminophenyl)sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[(2-aminophenyl)thio]acetyl]amino]butyric acid methyl ester Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)CSC1=CC=CC=C1N

Isomeric SMILES

COC(=O)CCCNC(=O)CSC1=CC=CC=C1N

InChI

InChI=1S/C13H18N2O3S/c1-18-13(17)7-4-8-15-12(16)9-19-11-6-3-2-5-10(11)14/h2-3,5-6H,4,7-9,14H2,1H3,(H,15,16)