[2-oxidanylidene-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 2,5-dimethylbenzoate

Systemtic Name: [2-oxidanylidene-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 2,5-dimethylbenzoate Openeye Name: [2-oxo-2-[[(R)-phenyl(2-thienyl)methyl]amino]ethyl] 2,5-dimethylbenzoate CAS Name: 2,5-dimethylbenzoic acid [2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 2,5-dimethylbenzoate Traditional Name: 2,5-dimethylbenzoic acid [2-keto-2-[[(R)-phenyl(2-thienyl)methyl]amino]ethyl] ester Formula: C22H21NO3S MolecularWeight: 379.47204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)OCC(=O)NC(C2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)OCC(=O)N[C@H](C2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C22H21NO3S/c1-15-10-11-16(2)18(13-15)22(25)26-14-20(24)23-21(19-9-6-12-27-19)17-7-4-3-5-8-17/h3-13,21H,14H2,1-2H3,(H,23,24)/t21-/m1/s1