4-oxidanylidene-4-[(4-thiocyanatophenyl)amino]butanoate

Systemtic Name: 4-oxidanylidene-4-[(4-thiocyanatophenyl)amino]butanoate Openeye Name: 4-oxo-4-(4-thiocyanatoanilino)butanoate CAS Name: 4-oxo-4-(4-thiocyanatoanilino)butanoate IUPAC Name: 4-oxo-4-(4-thiocyanatoanilino)butanoate Traditional Name: 4-keto-4-(4-thiocyanatoanilino)butyrate Formula: C11H9N2O3S- MolecularWeight: 249.26576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CCC(=O)[O-])SC#N

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CCC(=O)[O-])SC#N

InChI

InChI=1S/C11H10N2O3S/c12-7-17-9-3-1-8(2-4-9)13-10(14)5-6-11(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16)/p-1