butyl 4-[3-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]propanoylamino]benzoate

Systemtic Name: butyl 4-[3-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]propanoylamino]benzoate Openeye Name: butyl 4-[3-[[4-oxo-4-(2-thienyl)butanoyl]amino]propanoylamino]benzoate CAS Name: 4-[[3-[(1,4-dioxo-4-thiophen-2-ylbutyl)amino]-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]propanoylamino]benzoate Traditional Name: 4-[3-[[4-keto-4-(2-thienyl)butanoyl]amino]propanoylamino]benzoic acid butyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCNC(=O)CCC(=O)C2=CC=CS2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCNC(=O)CCC(=O)C2=CC=CS2

InChI

InChI=1S/C22H26N2O5S/c1-2-3-14-29-22(28)16-6-8-17(9-7-16)24-21(27)12-13-23-20(26)11-10-18(25)19-5-4-15-30-19/h4-9,15H,2-3,10-14H2,1H3,(H,23,26)(H,24,27)