3-[[(2S)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanoyl]amino]benzoate

Systemtic Name: 3-[[(2S)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanoyl]amino]benzoate Openeye Name: 3-[[(2S)-2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]propanoyl]amino]benzoate CAS Name: 3-[[(2S)-1-oxo-2-[(4,6,8-trimethyl-2-quinolinyl)thio]propyl]amino]benzoate IUPAC Name: 3-[[(2S)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanoyl]amino]benzoate Traditional Name: 3-[[(2S)-2-[(4,6,8-trimethyl-2-quinolyl)thio]propanoyl]amino]benzoate Formula: C22H21N2O3S- MolecularWeight: 393.47874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SC(C)C(=O)NC3=CC=CC(=C3)C(=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)S[C@@H](C)C(=O)NC3=CC=CC(=C3)C(=O)[O-])C)C

InChI

InChI=1S/C22H22N2O3S/c1-12-8-14(3)20-18(9-12)13(2)10-19(24-20)28-15(4)21(25)23-17-7-5-6-16(11-17)22(26)27/h5-11,15H,1-4H3,(H,23,25)(H,26,27)/p-1/t15-/m0/s1