4-[[2-(naphthalen-1-ylmethylsulfanyl)ethanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[2-(naphthalen-1-ylmethylsulfanyl)ethanoylamino]methyl]benzoic acid Openeye Name: 4-[[[2-(1-naphthylmethylsulfanyl)acetyl]amino]methyl]benzoic acid CAS Name: 4-[[[2-(1-naphthalenylmethylthio)-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-(naphthalen-1-ylmethylsulfanyl)acetyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-(1-naphthylmethylthio)acetyl]amino]methyl]benzoic acid Formula: C21H19NO3S MolecularWeight: 365.44546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CSCC(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CSCC(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

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