4-[(2S)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoate

Systemtic Name: 4-[(2S)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoate Openeye Name: 4-[(1S)-2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl]sulfanylbenzoate CAS Name: 4-[[(2S)-1-(2-furanylmethylamino)-1-oxopropan-2-yl]thio]benzoate IUPAC Name: 4-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]sulfanylbenzoate Traditional Name: 4-[[(1S)-2-(2-furfurylamino)-2-keto-1-methyl-ethyl]thio]benzoate Formula: C15H14NO4S- MolecularWeight: 304.34096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)SC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CO1)SC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C15H15NO4S/c1-10(14(17)16-9-12-3-2-8-20-12)21-13-6-4-11(5-7-13)15(18)19/h2-8,10H,9H2,1H3,(H,16,17)(H,18,19)/p-1/t10-/m0/s1