3-[[(2S)-2-(8-methoxy-4-methyl-quinolin-2-yl)sulfanylbutanoyl]amino]benzoate

Systemtic Name: 3-[[(2S)-2-(8-methoxy-4-methyl-quinolin-2-yl)sulfanylbutanoyl]amino]benzoate Openeye Name: 3-[[(2S)-2-[(8-methoxy-4-methyl-2-quinolyl)sulfanyl]butanoyl]amino]benzoate CAS Name: 3-[[(2S)-2-[(8-methoxy-4-methyl-2-quinolinyl)thio]-1-oxobutyl]amino]benzoate IUPAC Name: 3-[[(2S)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylbutanoyl]amino]benzoate Traditional Name: 3-[[(2S)-2-[(8-methoxy-4-methyl-2-quinolyl)thio]butanoyl]amino]benzoate Formula: C22H21N2O4S- MolecularWeight: 409.47814

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)C(=O)[O-])SC2=NC3=C(C=CC=C3OC)C(=C2)C

Isomeric SMILES

CC[C@@H](C(=O)NC1=CC=CC(=C1)C(=O)[O-])SC2=NC3=C(C=CC=C3OC)C(=C2)C

InChI

InChI=1S/C22H22N2O4S/c1-4-18(21(25)23-15-8-5-7-14(12-15)22(26)27)29-19-11-13(2)16-9-6-10-17(28-3)20(16)24-19/h5-12,18H,4H2,1-3H3,(H,23,25)(H,26,27)/p-1/t18-/m0/s1