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

Systemtic Name: 4-[[(2S)-2-quinolin-2-ylsulfanylbutanoyl]amino]benzoate Openeye Name: 4-[[(2S)-2-(2-quinolylsulfanyl)butanoyl]amino]benzoate CAS Name: 4-[[(2S)-1-oxo-2-(2-quinolinylthio)butyl]amino]benzoate IUPAC Name: 4-[[(2S)-2-quinolin-2-ylsulfanylbutanoyl]amino]benzoate Traditional Name: 4-[[(2S)-2-(2-quinolylthio)butanoyl]amino]benzoate Formula: C20H17N2O3S- MolecularWeight: 365.42558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O3S/c1-2-17(19(23)21-15-10-7-14(8-11-15)20(24)25)26-18-12-9-13-5-3-4-6-16(13)22-18/h3-12,17H,2H2,1H3,(H,21,23)(H,24,25)/p-1/t17-/m0/s1