methyl 2-[4-(butanoylamino)phenyl]sulfanylethanoate

Systemtic Name: methyl 2-[4-(butanoylamino)phenyl]sulfanylethanoate Openeye Name: methyl 2-[4-(butanoylamino)phenyl]sulfanylacetate CAS Name: 2-[[4-(1-oxobutylamino)phenyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[4-(butanoylamino)phenyl]sulfanylacetate Traditional Name: 2-[(4-butyramidophenyl)thio]acetic acid methyl ester Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3S/c1-3-4-12(15)14-10-5-7-11(8-6-10)18-9-13(16)17-2/h5-8H,3-4,9H2,1-2H3,(H,14,15)