2-[[4-(5-thiophen-2-ylpent-3-ynylamino)phenyl]carbonylamino]propanoic acid

Systemtic Name: 2-[[4-(5-thiophen-2-ylpent-3-ynylamino)phenyl]carbonylamino]propanoic acid Openeye Name: 2-[[4-[5-(2-thienyl)pent-3-ynylamino]benzoyl]amino]propanoic acid CAS Name: 2-[[oxo-[4-(5-thiophen-2-ylpent-3-ynylamino)phenyl]methyl]amino]propanoic acid IUPAC Name: 2-[[4-(5-thiophen-2-ylpent-3-ynylamino)benzoyl]amino]propanoic acid Traditional Name: 2-[[4-[5-(2-thienyl)pent-3-ynylamino]benzoyl]amino]propionic acid Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C1=CC=C(C=C1)NCCC#CCC2=CC=CS2

Isomeric SMILES

CC(C(=O)O)NC(=O)C1=CC=C(C=C1)NCCC#CCC2=CC=CS2

InChI

InChI=1S/C19H20N2O3S/c1-14(19(23)24)21-18(22)15-8-10-16(11-9-15)20-12-4-2-3-6-17-7-5-13-25-17/h5,7-11,13-14,20H,4,6,12H2,1H3,(H,21,22)(H,23,24)