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

Systemtic Name: methyl 4-[[4-(thiophen-3-ylcarbonylamino)butanoylamino]methyl]benzoate Openeye Name: methyl 4-[[4-(thiophene-3-carbonylamino)butanoylamino]methyl]benzoate CAS Name: 4-[[[1-oxo-4-[[oxo(3-thiophenyl)methyl]amino]butyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(thiophene-3-carbonylamino)butanoylamino]methyl]benzoate Traditional Name: 4-[[4-(3-thenoylamino)butanoylamino]methyl]benzoic acid methyl ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4S/c1-24-18(23)14-6-4-13(5-7-14)11-20-16(21)3-2-9-19-17(22)15-8-10-25-12-15/h4-8,10,12H,2-3,9,11H2,1H3,(H,19,22)(H,20,21)