4-[[(2S)-2-quinolin-2-ylsulfanylpropanoyl]amino]benzoate

Systemtic Name: 4-[[(2S)-2-quinolin-2-ylsulfanylpropanoyl]amino]benzoate Openeye Name: 4-[[(2S)-2-(2-quinolylsulfanyl)propanoyl]amino]benzoate CAS Name: 4-[[(2S)-1-oxo-2-(2-quinolinylthio)propyl]amino]benzoate IUPAC Name: 4-[[(2S)-2-quinolin-2-ylsulfanylpropanoyl]amino]benzoate Traditional Name: 4-[[(2S)-2-(2-quinolylthio)propanoyl]amino]benzoate Formula: C19H15N2O3S- MolecularWeight: 351.399

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)[O-])SC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)[O-])SC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C19H16N2O3S/c1-12(18(22)20-15-9-6-14(7-10-15)19(23)24)25-17-11-8-13-4-2-3-5-16(13)21-17/h2-12H,1H3,(H,20,22)(H,23,24)/p-1/t12-/m0/s1