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

Systemtic Name: 4-[2-(naphthalen-1-ylmethylsulfanyl)ethanoylamino]benzoic acid Openeye Name: 4-[[2-(1-naphthylmethylsulfanyl)acetyl]amino]benzoic acid CAS Name: 4-[[2-(1-naphthalenylmethylthio)-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(naphthalen-1-ylmethylsulfanyl)acetyl]amino]benzoic acid Traditional Name: 4-[[2-(1-naphthylmethylthio)acetyl]amino]benzoic acid Formula: C20H17NO3S MolecularWeight: 351.41888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CSCC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CSCC(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H17NO3S/c22-19(21-17-10-8-15(9-11-17)20(23)24)13-25-12-16-6-3-5-14-4-1-2-7-18(14)16/h1-11H,12-13H2,(H,21,22)(H,23,24)