[(2R)-1-(naphthalen-1-ylamino)-1-oxidanylidene-propan-2-yl] (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [(2R)-1-(naphthalen-1-ylamino)-1-oxidanylidene-propan-2-yl] (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [(1R)-1-methyl-2-(1-naphthylamino)-2-oxo-ethyl] (5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [(2R)-1-(1-naphthalenylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: (5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [(1R)-2-keto-1-methyl-2-(1-naphthylamino)ethyl] ester Formula: C23H23NO3S MolecularWeight: 393.49862

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OC(C)C(=O)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C[C@H]1CCC2=C(C1)C=C(S2)C(=O)O[C@H](C)C(=O)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H23NO3S/c1-14-10-11-20-17(12-14)13-21(28-20)23(26)27-15(2)22(25)24-19-9-5-7-16-6-3-4-8-18(16)19/h3-9,13-15H,10-12H2,1-2H3,(H,24,25)/t14-,15+/m0/s1