[2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)sulfanylethanoate

Systemtic Name: [2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)sulfanylethanoate Openeye Name: [2-(2-naphthylamino)-2-oxo-ethyl] 2-(2,5-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [2-(2-naphthalenylamino)-2-oxoethyl] ester IUPAC Name: [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [2-keto-2-(2-naphthylamino)ethyl] ester Formula: C22H21NO3S MolecularWeight: 379.47204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)OCC(=O)NC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)OCC(=O)NC2=CC3=CC=CC=C3C=C2

InChI

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