methyl (2S)-3-phenyl-2-[[3-(thiophen-2-ylcarbonylamino)phenyl]carbonylamino]propanoate

Systemtic Name: methyl (2S)-3-phenyl-2-[[3-(thiophen-2-ylcarbonylamino)phenyl]carbonylamino]propanoate Openeye Name: methyl (2S)-3-phenyl-2-[[3-(thiophene-2-carbonylamino)benzoyl]amino]propanoate CAS Name: (2S)-2-[[oxo-[3-[[oxo(thiophen-2-yl)methyl]amino]phenyl]methyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-3-phenyl-2-[[3-(thiophene-2-carbonylamino)benzoyl]amino]propanoate Traditional Name: (2S)-3-phenyl-2-[[3-(2-thenoylamino)benzoyl]amino]propionic acid methyl ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C22H20N2O4S/c1-28-22(27)18(13-15-7-3-2-4-8-15)24-20(25)16-9-5-10-17(14-16)23-21(26)19-11-6-12-29-19/h2-12,14,18H,13H2,1H3,(H,23,26)(H,24,25)/t18-/m0/s1