[(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [(1S)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid [(1S)-2-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H23NO3S MolecularWeight: 345.45582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)OC(C)C(=O)NC3CCCCC3

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)O[C@@H](C)C(=O)NC3CCCCC3

InChI

InChI=1S/C19H23NO3S/c1-12-15-10-6-7-11-16(15)24-17(12)19(22)23-13(2)18(21)20-14-8-4-3-5-9-14/h6-7,10-11,13-14H,3-5,8-9H2,1-2H3,(H,20,21)/t13-/m0/s1