[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] naphthalene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] naphthalene-2-carboxylate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] naphthalene-2-carboxylate CAS Name: 2-naphthalenecarboxylic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] naphthalene-2-carboxylate Traditional Name: naphthalene-2-carboxylic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C22H21NO3S MolecularWeight: 379.47204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNC(=O)COC(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C1=CC=C(C=C1)CSCCNC(=O)COC(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H21NO3S/c24-21(23-12-13-27-16-17-6-2-1-3-7-17)15-26-22(25)20-11-10-18-8-4-5-9-19(18)14-20/h1-11,14H,12-13,15-16H2,(H,23,24)