dimethyl 5-azanyl-3-[[(3R)-3-phenylbutanoyl]oxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[[(3R)-3-phenylbutanoyl]oxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[[(3R)-3-phenylbutanoyl]oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(3R)-1-oxo-3-phenylbutoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[[(3R)-3-phenylbutanoyl]oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(3R)-3-phenylbutanoyl]oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C19H21NO6S MolecularWeight: 391.43814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OCC1=C(SC(=C1C(=O)OC)N)C(=O)OC)C2=CC=CC=C2

Isomeric SMILES

C[C@H](CC(=O)OCC1=C(SC(=C1C(=O)OC)N)C(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C19H21NO6S/c1-11(12-7-5-4-6-8-12)9-14(21)26-10-13-15(18(22)24-2)17(20)27-16(13)19(23)25-3/h4-8,11H,9-10,20H2,1-3H3/t11-/m1/s1