methyl 4-[2-[4-(thiophen-3-ylcarbonylamino)butanoylamino]ethyl]benzoate

Systemtic Name: methyl 4-[2-[4-(thiophen-3-ylcarbonylamino)butanoylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[4-(thiophene-3-carbonylamino)butanoylamino]ethyl]benzoate CAS Name: 4-[2-[[1-oxo-4-[[oxo(3-thiophenyl)methyl]amino]butyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[4-(thiophene-3-carbonylamino)butanoylamino]ethyl]benzoate Traditional Name: 4-[2-[4-(3-thenoylamino)butanoylamino]ethyl]benzoic acid methyl ester Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCNC(=O)CCCNC(=O)C2=CSC=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCNC(=O)CCCNC(=O)C2=CSC=C2

InChI

InChI=1S/C19H22N2O4S/c1-25-19(24)15-6-4-14(5-7-15)8-11-20-17(22)3-2-10-21-18(23)16-9-12-26-13-16/h4-7,9,12-13H,2-3,8,10-11H2,1H3,(H,20,22)(H,21,23)