4-[[2-[ethyl(naphthalen-1-yl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[2-[ethyl(naphthalen-1-yl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[2-[ethyl(1-naphthyl)amino]-2-oxo-ethyl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[2-[ethyl(1-naphthalenyl)amino]-2-oxoethyl]thio]methyl]benzoic acid IUPAC Name: 4-[[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[2-[ethyl(1-naphthyl)amino]-2-keto-ethyl]thio]methyl]benzoic acid Formula: C22H21NO3S MolecularWeight: 379.47204

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC2=CC=CC=C21)C(=O)CSCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCN(C1=CC=CC2=CC=CC=C21)C(=O)CSCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H21NO3S/c1-2-23(20-9-5-7-17-6-3-4-8-19(17)20)21(24)15-27-14-16-10-12-18(13-11-16)22(25)26/h3-13H,2,14-15H2,1H3,(H,25,26)