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

Systemtic Name: 2-(dimethylamino)-5-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]benzoic acid Openeye Name: 5-[(2-benzyl-3-sulfanyl-propanoyl)amino]-2-(dimethylamino)benzoic acid CAS Name: 2-(dimethylamino)-5-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]benzoic acid IUPAC Name: 5-[(2-benzyl-3-sulfanylpropanoyl)amino]-2-(dimethylamino)benzoic acid Traditional Name: 5-[(2-benzyl-3-mercapto-propanoyl)amino]-2-(dimethylamino)benzoic acid Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O3S/c1-21(2)17-9-8-15(11-16(17)19(23)24)20-18(22)14(12-25)10-13-6-4-3-5-7-13/h3-9,11,14,25H,10,12H2,1-2H3,(H,20,22)(H,23,24)