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

Systemtic Name: 4-methylsulfanyl-2-[[4-(2-oxidanylidenechromen-3-yl)phenyl]carbamoylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[4-(2-oxochromen-3-yl)phenyl]carbamoylamino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[4-(2-oxo-1-benzopyran-3-yl)anilino]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[4-(2-oxochromen-3-yl)phenyl]carbamoylamino]butanoic acid Traditional Name: 2-[[4-(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=C(C=C1)C2=CC3=CC=CC=C3OC2=O

Isomeric SMILES

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

InChI

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