2-[1-[2-(methylamino)-2-oxidanylidene-ethyl]-5-phenyl-imidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-[2-(methylamino)-2-oxidanylidene-ethyl]-5-phenyl-imidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-[2-(methylamino)-2-oxo-ethyl]-5-phenyl-imidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-[2-(methylamino)-2-oxoethyl]-5-phenyl-2-imidazolyl]thio]acetic acid IUPAC Name: 2-[1-[2-(methylamino)-2-oxoethyl]-5-phenylimidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-[2-keto-2-(methylamino)ethyl]-5-phenyl-imidazol-2-yl]thio]acetic acid Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CN1C(=CN=C1SCC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CNC(=O)CN1C(=CN=C1SCC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C14H15N3O3S/c1-15-12(18)8-17-11(10-5-3-2-4-6-10)7-16-14(17)21-9-13(19)20/h2-7H,8-9H2,1H3,(H,15,18)(H,19,20)