5-ethyl-2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]benzoic acid

Systemtic Name: 5-ethyl-2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]benzoic acid Openeye Name: 2-[(2-benzyl-3-sulfanyl-propanoyl)amino]-5-ethyl-benzoic acid CAS Name: 5-ethyl-2-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]benzoic acid IUPAC Name: 2-[(2-benzyl-3-sulfanylpropanoyl)amino]-5-ethylbenzoic acid Traditional Name: 2-[(2-benzyl-3-mercapto-propanoyl)amino]-5-ethyl-benzoic acid Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)NC(=O)C(CC2=CC=CC=C2)CS)C(=O)O

Isomeric SMILES

CCC1=CC(=C(C=C1)NC(=O)C(CC2=CC=CC=C2)CS)C(=O)O

InChI

InChI=1S/C19H21NO3S/c1-2-13-8-9-17(16(11-13)19(22)23)20-18(21)15(12-24)10-14-6-4-3-5-7-14/h3-9,11,15,24H,2,10,12H2,1H3,(H,20,21)(H,22,23)