3-[[(2S)-2-(4-methylquinolin-2-yl)sulfanylpropanoyl]amino]benzoate

Systemtic Name: 3-[[(2S)-2-(4-methylquinolin-2-yl)sulfanylpropanoyl]amino]benzoate Openeye Name: 3-[[(2S)-2-[(4-methyl-2-quinolyl)sulfanyl]propanoyl]amino]benzoate CAS Name: 3-[[(2S)-2-[(4-methyl-2-quinolinyl)thio]-1-oxopropyl]amino]benzoate IUPAC Name: 3-[[(2S)-2-(4-methylquinolin-2-yl)sulfanylpropanoyl]amino]benzoate Traditional Name: 3-[[(2S)-2-[(4-methyl-2-quinolyl)thio]propanoyl]amino]benzoate Formula: C20H17N2O3S- MolecularWeight: 365.42558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SC(C)C(=O)NC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)S[C@@H](C)C(=O)NC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C20H18N2O3S/c1-12-10-18(22-17-9-4-3-8-16(12)17)26-13(2)19(23)21-15-7-5-6-14(11-15)20(24)25/h3-11,13H,1-2H3,(H,21,23)(H,24,25)/p-1/t13-/m0/s1