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

Systemtic Name: 4-methyl-3-[2-(naphthalen-2-ylmethylsulfanyl)ethanoylamino]benzoic acid Openeye Name: 4-methyl-3-[[2-(2-naphthylmethylsulfanyl)acetyl]amino]benzoic acid CAS Name: 4-methyl-3-[[2-(2-naphthalenylmethylthio)-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[[2-(naphthalen-2-ylmethylsulfanyl)acetyl]amino]benzoic acid Traditional Name: 4-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=C(C=C1)C(=O)O)NC(=O)CSCC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSCC2=CC3=CC=CC=C3C=C2

InChI

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