3-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]naphthalene-2-carboxylic acid

Systemtic Name: 3-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]naphthalene-2-carboxylic acid Openeye Name: 3-[(2-benzyl-3-sulfanyl-propanoyl)amino]naphthalene-2-carboxylic acid CAS Name: 3-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]-2-naphthalenecarboxylic acid IUPAC Name: 3-[(2-benzyl-3-sulfanylpropanoyl)amino]naphthalene-2-carboxylic acid Traditional Name: 3-[(2-benzyl-3-mercapto-propanoyl)amino]-2-naphthoic acid Formula: C21H19NO3S MolecularWeight: 365.44546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CS)C(=O)NC2=CC3=CC=CC=C3C=C2C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CS)C(=O)NC2=CC3=CC=CC=C3C=C2C(=O)O

InChI

InChI=1S/C21H19NO3S/c23-20(17(13-26)10-14-6-2-1-3-7-14)22-19-12-16-9-5-4-8-15(16)11-18(19)21(24)25/h1-9,11-12,17,26H,10,13H2,(H,22,23)(H,24,25)