[2-oxidanylidene-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2,5-dimethylbenzoate

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2,5-dimethylbenzoate Openeye Name: [2-oxo-2-[[(1R)-1-(2-thienyl)ethyl]amino]ethyl] 2,5-dimethylbenzoate CAS Name: 2,5-dimethylbenzoic acid [2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2,5-dimethylbenzoate Traditional Name: 2,5-dimethylbenzoic acid [2-keto-2-[[(1R)-1-(2-thienyl)ethyl]amino]ethyl] ester Formula: C17H19NO3S MolecularWeight: 317.40266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)OCC(=O)NC(C)C2=CC=CS2

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)OCC(=O)N[C@H](C)C2=CC=CS2

InChI

InChI=1S/C17H19NO3S/c1-11-6-7-12(2)14(9-11)17(20)21-10-16(19)18-13(3)15-5-4-8-22-15/h4-9,13H,10H2,1-3H3,(H,18,19)/t13-/m1/s1