[(2R)-1-(naphthalen-2-ylamino)-1-oxidanylidene-propan-2-yl] 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: [(2R)-1-(naphthalen-2-ylamino)-1-oxidanylidene-propan-2-yl] 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [(1R)-1-methyl-2-(2-naphthylamino)-2-oxo-ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [(2R)-1-(2-naphthalenylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [(1R)-2-keto-1-methyl-2-(2-naphthylamino)ethyl] ester Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=CC=CC=C2C=C1)OC(=O)C3=C(C=C(C=C3)SC)OC

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=CC=CC=C2C=C1)OC(=O)C3=C(C=C(C=C3)SC)OC

InChI

InChI=1S/C22H21NO4S/c1-14(27-22(25)19-11-10-18(28-3)13-20(19)26-2)21(24)23-17-9-8-15-6-4-5-7-16(15)12-17/h4-14H,1-3H3,(H,23,24)/t14-/m1/s1