methyl 5-morpholin-4-yl-2-[4-(thiophen-3-ylcarbonylamino)butanoylamino]benzoate

Systemtic Name: methyl 5-morpholin-4-yl-2-[4-(thiophen-3-ylcarbonylamino)butanoylamino]benzoate Openeye Name: methyl 5-morpholino-2-[4-(thiophene-3-carbonylamino)butanoylamino]benzoate CAS Name: 5-(4-morpholinyl)-2-[[1-oxo-4-[[oxo(3-thiophenyl)methyl]amino]butyl]amino]benzoic acid methyl ester IUPAC Name: methyl 5-morpholin-4-yl-2-[4-(thiophene-3-carbonylamino)butanoylamino]benzoate Traditional Name: 5-morpholino-2-[4-(3-thenoylamino)butanoylamino]benzoic acid methyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)N2CCOCC2)NC(=O)CCCNC(=O)C3=CSC=C3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)N2CCOCC2)NC(=O)CCCNC(=O)C3=CSC=C3

InChI

InChI=1S/C21H25N3O5S/c1-28-21(27)17-13-16(24-8-10-29-11-9-24)4-5-18(17)23-19(25)3-2-7-22-20(26)15-6-12-30-14-15/h4-6,12-14H,2-3,7-11H2,1H3,(H,22,26)(H,23,25)