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

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [(1R)-2-amino-1-methyl-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-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-amino-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-amino-2-keto-1-methyl-ethyl] ester Formula: C13H17NO3S MolecularWeight: 267.34398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OC(C)C(=O)N

Isomeric SMILES

C[C@H]1CCC2=C(C1)C=C(S2)C(=O)O[C@H](C)C(=O)N

InChI

InChI=1S/C13H17NO3S/c1-7-3-4-10-9(5-7)6-11(18-10)13(16)17-8(2)12(14)15/h6-8H,3-5H2,1-2H3,(H2,14,15)/t7-,8+/m0/s1