(2S)-4-methylsulfanyl-2-[[3-(2-oxidanylidenechromen-3-yl)phenyl]carbamoylamino]butanoic acid

Systemtic Name: (2S)-4-methylsulfanyl-2-[[3-(2-oxidanylidenechromen-3-yl)phenyl]carbamoylamino]butanoic acid Openeye Name: (2S)-4-methylsulfanyl-2-[[3-(2-oxochromen-3-yl)phenyl]carbamoylamino]butanoic acid CAS Name: (2S)-4-(methylthio)-2-[[oxo-[3-(2-oxo-1-benzopyran-3-yl)anilino]methyl]amino]butanoic acid IUPAC Name: (2S)-4-methylsulfanyl-2-[[3-(2-oxochromen-3-yl)phenyl]carbamoylamino]butanoic acid Traditional Name: (2S)-2-[[3-(2-ketochromen-3-yl)phenyl]carbamoylamino]-4-(methylthio)butyric acid Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)NC1=CC=CC(=C1)C2=CC3=CC=CC=C3OC2=O

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)NC1=CC=CC(=C1)C2=CC3=CC=CC=C3OC2=O

InChI

InChI=1S/C21H20N2O5S/c1-29-10-9-17(19(24)25)23-21(27)22-15-7-4-6-13(11-15)16-12-14-5-2-3-8-18(14)28-20(16)26/h2-8,11-12,17H,9-10H2,1H3,(H,24,25)(H2,22,23,27)/t17-/m0/s1