5-[(3-methylsulfanylphenyl)carbamoylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[(3-methylsulfanylphenyl)carbamoylamino]-5-oxidanylidene-pentanoate Openeye Name: 5-[(3-methylsulfanylphenyl)carbamoylamino]-5-oxo-pentanoate CAS Name: 5-[[[3-(methylthio)anilino]-oxomethyl]amino]-5-oxopentanoate IUPAC Name: 5-[(3-methylsulfanylphenyl)carbamoylamino]-5-oxopentanoate Traditional Name: 5-keto-5-[[3-(methylthio)phenyl]carbamoylamino]valerate Formula: C13H15N2O4S- MolecularWeight: 295.3342

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)NC(=O)CCCC(=O)[O-]

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)NC(=O)CCCC(=O)[O-]

InChI

InChI=1S/C13H16N2O4S/c1-20-10-5-2-4-9(8-10)14-13(19)15-11(16)6-3-7-12(17)18/h2,4-5,8H,3,6-7H2,1H3,(H,17,18)(H2,14,15,16,19)/p-1