3-[(3-methylsulfanylphenyl)methylamino]-3-oxidanylidene-propanoate

Systemtic Name: 3-[(3-methylsulfanylphenyl)methylamino]-3-oxidanylidene-propanoate Openeye Name: 3-[(3-methylsulfanylphenyl)methylamino]-3-oxo-propanoate CAS Name: 3-[[3-(methylthio)phenyl]methylamino]-3-oxopropanoate IUPAC Name: 3-[(3-methylsulfanylphenyl)methylamino]-3-oxopropanoate Traditional Name: 3-keto-3-[[3-(methylthio)benzyl]amino]propionate Formula: C11H12NO3S- MolecularWeight: 238.28288

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)CNC(=O)CC(=O)[O-]

Isomeric SMILES

CSC1=CC=CC(=C1)CNC(=O)CC(=O)[O-]

InChI

InChI=1S/C11H13NO3S/c1-16-9-4-2-3-8(5-9)7-12-10(13)6-11(14)15/h2-5H,6-7H2,1H3,(H,12,13)(H,14,15)/p-1