6-[(3-methylsulfanylphenyl)carbamoylamino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[(3-methylsulfanylphenyl)carbamoylamino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-[(3-methylsulfanylphenyl)carbamoylamino]-6-oxo-hexanoic acid CAS Name: 6-[[[3-(methylthio)anilino]-oxomethyl]amino]-6-oxohexanoic acid IUPAC Name: 6-[(3-methylsulfanylphenyl)carbamoylamino]-6-oxohexanoic acid Traditional Name: 6-keto-6-[[3-(methylthio)phenyl]carbamoylamino]hexanoic acid Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)NC(=O)CCCCC(=O)O

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)NC(=O)CCCCC(=O)O

InChI

InChI=1S/C14H18N2O4S/c1-21-11-6-4-5-10(9-11)15-14(20)16-12(17)7-2-3-8-13(18)19/h4-6,9H,2-3,7-8H2,1H3,(H,18,19)(H2,15,16,17,20)