2-methoxy-5-[(2-naphthalen-2-ylsulfanylethanoylamino)methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[(2-naphthalen-2-ylsulfanylethanoylamino)methyl]benzoic acid Openeye Name: 2-methoxy-5-[[[2-(2-naphthylsulfanyl)acetyl]amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[2-(2-naphthalenylthio)-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[(2-naphthalen-2-ylsulfanylacetyl)amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[[2-(2-naphthylthio)acetyl]amino]methyl]benzoic acid Formula: C21H19NO4S MolecularWeight: 381.44486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CSC2=CC3=CC=CC=C3C=C2)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CSC2=CC3=CC=CC=C3C=C2)C(=O)O

InChI

InChI=1S/C21H19NO4S/c1-26-19-9-6-14(10-18(19)21(24)25)12-22-20(23)13-27-17-8-7-15-4-2-3-5-16(15)11-17/h2-11H,12-13H2,1H3,(H,22,23)(H,24,25)