2-methyl-3-[2-(naphthalen-2-ylmethylsulfanyl)ethanoylamino]benzoic acid

Systemtic Name: 2-methyl-3-[2-(naphthalen-2-ylmethylsulfanyl)ethanoylamino]benzoic acid Openeye Name: 2-methyl-3-[[2-(2-naphthylmethylsulfanyl)acetyl]amino]benzoic acid CAS Name: 2-methyl-3-[[2-(2-naphthalenylmethylthio)-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-methyl-3-[[2-(naphthalen-2-ylmethylsulfanyl)acetyl]amino]benzoic acid Traditional Name: 2-methyl-3-[[2-(2-naphthylmethylthio)acetyl]amino]benzoic acid Formula: C21H19NO3S MolecularWeight: 365.44546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)CSCC2=CC3=CC=CC=C3C=C2)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)CSCC2=CC3=CC=CC=C3C=C2)C(=O)O

InChI

InChI=1S/C21H19NO3S/c1-14-18(21(24)25)7-4-8-19(14)22-20(23)13-26-12-15-9-10-16-5-2-3-6-17(16)11-15/h2-11H,12-13H2,1H3,(H,22,23)(H,24,25)