methyl 2-[2-[3-(butanoylamino)phenyl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[3-(butanoylamino)phenyl]sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-[3-(butanoylamino)phenyl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[[3-(1-oxobutylamino)phenyl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[3-(butanoylamino)phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(3-butyramidophenyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)SCC(=O)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)SCC(=O)NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C20H22N2O4S/c1-3-7-18(23)21-14-8-6-9-15(12-14)27-13-19(24)22-17-11-5-4-10-16(17)20(25)26-2/h4-6,8-12H,3,7,13H2,1-2H3,(H,21,23)(H,22,24)