3-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]naphthalene-2-carboxylic acid

Systemtic Name: 3-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]naphthalene-2-carboxylic acid Openeye Name: 3-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]naphthalene-2-carboxylic acid CAS Name: 3-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]-2-naphthalenecarboxylic acid IUPAC Name: 3-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]naphthalene-2-carboxylic acid Traditional Name: 3-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]-2-naphthoic acid Formula: C23H21NO4S MolecularWeight: 407.48214

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2=CC3=CC=CC=C3C=C2C(=O)O

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2=CC3=CC=CC=C3C=C2C(=O)O

InChI

InChI=1S/C23H21NO4S/c1-15(25)29-14-19(11-16-7-3-2-4-8-16)22(26)24-21-13-18-10-6-5-9-17(18)12-20(21)23(27)28/h2-10,12-13,19H,11,14H2,1H3,(H,24,26)(H,27,28)