[(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [(1R)-2-anilino-1-methyl-2-oxo-ethyl] 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [(2R)-1-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-anilino-1-oxopropan-2-yl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [(1R)-2-anilino-2-keto-1-methyl-ethyl] ester Formula: C20H22N2O4S MolecularWeight: 386.46468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)OC(=O)C2=C(SC3=C2CCCC3)NC(=O)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1)OC(=O)C2=C(SC3=C2CCCC3)NC(=O)C

InChI

InChI=1S/C20H22N2O4S/c1-12(18(24)22-14-8-4-3-5-9-14)26-20(25)17-15-10-6-7-11-16(15)27-19(17)21-13(2)23/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H,21,23)(H,22,24)/t12-/m1/s1