4-[[(2S)-2-(4,8-dimethylquinolin-2-yl)sulfanylbutanoyl]amino]benzoate

Systemtic Name: 4-[[(2S)-2-(4,8-dimethylquinolin-2-yl)sulfanylbutanoyl]amino]benzoate Openeye Name: 4-[[(2S)-2-[(4,8-dimethyl-2-quinolyl)sulfanyl]butanoyl]amino]benzoate CAS Name: 4-[[(2S)-2-[(4,8-dimethyl-2-quinolinyl)thio]-1-oxobutyl]amino]benzoate IUPAC Name: 4-[[(2S)-2-(4,8-dimethylquinolin-2-yl)sulfanylbutanoyl]amino]benzoate Traditional Name: 4-[[(2S)-2-[(4,8-dimethyl-2-quinolyl)thio]butanoyl]amino]benzoate Formula: C22H21N2O3S- MolecularWeight: 393.47874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O3S/c1-4-18(21(25)23-16-10-8-15(9-11-16)22(26)27)28-19-12-14(3)17-7-5-6-13(2)20(17)24-19/h5-12,18H,4H2,1-3H3,(H,23,25)(H,26,27)/p-1/t18-/m0/s1