[1-(naphthalen-2-ylamino)-1-oxidanylidene-propan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: [1-(naphthalen-2-ylamino)-1-oxidanylidene-propan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [1-methyl-2-(2-naphthylamino)-2-oxo-ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [1-(2-naphthalenylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-keto-1-methyl-2-(2-naphthylamino)ethyl] ester Formula: C23H21NO3S2 MolecularWeight: 423.54774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=CC=CC=C2C=C1)OC(=O)C3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

CC(C(=O)NC1=CC2=CC=CC=C2C=C1)OC(=O)C3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C23H21NO3S2/c1-15(21(25)24-20-11-10-16-4-2-3-5-19(16)14-20)27-22(26)17-6-8-18(9-7-17)23-28-12-13-29-23/h2-11,14-15,23H,12-13H2,1H3,(H,24,25)