(1-azanyl-1-oxidanylidene-propan-2-yl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (2-amino-2-keto-1-methyl-ethyl) ester Formula: C12H15NO3S MolecularWeight: 253.3174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)C1=CC2=C(S1)CCCC2

Isomeric SMILES

CC(C(=O)N)OC(=O)C1=CC2=C(S1)CCCC2

InChI

InChI=1S/C12H15NO3S/c1-7(11(13)14)16-12(15)10-6-8-4-2-3-5-9(8)17-10/h6-7H,2-5H2,1H3,(H2,13,14)