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

Systemtic Name: methyl 2-[2-[3-(butanoylamino)phenyl]sulfanylbutanoylamino]benzoate Openeye Name: methyl 2-[2-[3-(butanoylamino)phenyl]sulfanylbutanoylamino]benzoate CAS Name: 2-[[1-oxo-2-[[3-(1-oxobutylamino)phenyl]thio]butyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[3-(butanoylamino)phenyl]sulfanylbutanoylamino]benzoate Traditional Name: 2-[2-[(3-butyramidophenyl)thio]butanoylamino]benzoic acid methyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)SC(CC)C(=O)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)SC(CC)C(=O)NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C22H26N2O4S/c1-4-9-20(25)23-15-10-8-11-16(14-15)29-19(5-2)21(26)24-18-13-7-6-12-17(18)22(27)28-3/h6-8,10-14,19H,4-5,9H2,1-3H3,(H,23,25)(H,24,26)