4-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylbutanoate

Systemtic Name: 4-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylbutanoate Openeye Name: 4-(2-anilino-2-oxo-ethyl)sulfanylbutanoate CAS Name: 4-[(2-anilino-2-oxoethyl)thio]butanoate IUPAC Name: 4-(2-anilino-2-oxoethyl)sulfanylbutanoate Traditional Name: 4-[(2-anilino-2-keto-ethyl)thio]butyrate Formula: C12H14NO3S- MolecularWeight: 252.30946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CSCCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CSCCCC(=O)[O-]

InChI

InChI=1S/C12H15NO3S/c14-11(9-17-8-4-7-12(15)16)13-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,13,14)(H,15,16)/p-1